2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide
C111H120Cl2FN27O12 — CID 159414711
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide
SMILESCCOc1c(F)c(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(N2CCCC2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.CCOc1cc(OCC)c2ccc(C(=O)NCCCc3ncc[nH]3)cc2n1.COCCOCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.Cc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12
InChIInChI=1S/C24H25ClN6O3.C24H25FN6O3.C22H27N5O2.C21H19ClN6O.C20H24N4O3/c1-33-11-12-34-14-21-19-9-6-17(24(32)26-10-2-3-22-27-15-28-31-22)13-20(19)29-23(30-21)16-4-7-18(25)8-5-16;1-4-34-23-17-8-7-16(24(32)27-10-5-6-18-14(2)29-31-30-18)12-19(17)28-22(21(23)25)15-9-11-26-20(13-15)33-3;1-2-29-19-15-21(27-12-3-4-13-27)26-18-14-16(7-8-17(18)19)22(28)25-9-5-6-20-23-10-11-24-20;1-13-17-9-6-15(21(29)23-10-2-3-19-24-12-25-28-19)11-18(17)27-20(26-13)14-4-7-16(22)8-5-14;1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,26,32)(H,27,28,31);7-9,11-13H,4-6,10H2,1-3H3,(H,27,32)(H,29,30,31);7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,23,24)(H,25,28);4-9,11-12H,2-3,10H2,1H3,(H,23,29)(H,24,25,28);7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyLPADRKFMSVLFBY-UHFFFAOYSA-N
MW2114.26 g/mol
LogP17.40
Rot. Bonds43
About 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide
2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide (PubChem CID 159414711) has the molecular formula C111H120Cl2FN27O12 and a molecular weight of 2114.26 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide.
Molecular Properties
| Compound Name | 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide |
|---|---|
| PubChem CID | 159414711 |
| Molecular Formula | C111H120Cl2FN27O12 |
| Molecular Weight | 2114.26 g/mol |
| Exact Mass | 2111.90 |
| IUPAC Name | 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide |
| SMILES | CCOc1c(F)c(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(N2CCCC2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.CCOc1cc(OCC)c2ccc(C(=O)NCCCc3ncc[nH]3)cc2n1.COCCOCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.Cc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12 |
| InChI | InChI=1S/C24H25ClN6O3.C24H25FN6O3.C22H27N5O2.C21H19ClN6O.C20H24N4O3/c1-33-11-12-34-14-21-19-9-6-17(24(32)26-10-2-3-22-27-15-28-31-22)13-20(19)29-23(30-21)16-4-7-18(25)8-5-16;1-4-34-23-17-8-7-16(24(32)27-10-5-6-18-14(2)29-31-30-18)12-19(17)28-22(21(23)25)15-9-11-26-20(13-15)33-3;1-2-29-19-15-21(27-12-3-4-13-27)26-18-14-16(7-8-17(18)19)22(28)25-9-5-6-20-23-10-11-24-20;1-13-17-9-6-15(21(29)23-10-2-3-19-24-12-25-28-19)11-18(17)27-20(26-13)14-4-7-16(22)8-5-14;1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,26,32)(H,27,28,31);7-9,11-13H,4-6,10H2,1-3H3,(H,27,32)(H,29,30,31);7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,23,24)(H,25,28);4-9,11-12H,2-3,10H2,1H3,(H,23,29)(H,24,25,28);7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25) |
| InChIKey | LPADRKFMSVLFBY-UHFFFAOYSA-N |
| XLogP | 17.40 |
| TPSA | 498.54 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 153 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2114.26 |
| LogP ≤ 5 | 17.40 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 29 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide (CID 159414711) is 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide is CCOc1c(F)c(-c2ccnc(OC)c2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.CCOc1cc(N2CCCC2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.CCOc1cc(OCC)c2ccc(C(=O)NCCCc3ncc[nH]3)cc2n1.COCCOCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.Cc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide?
The InChIKey is LPADRKFMSVLFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3.C24H25FN6O3.C22H27N5O2.C21H19ClN6O.C20H24N4O3/c1-33-11-12-34-14-21-19-9-6-17(24(32)26-10-2-3-22-27-15-28-31-22)13-20(19)29-23(30-21)16-4-7-18(25)8-5-16;1-4-34-23-17-8-7-16(24(32)27-10-5-6-18-14(2)29-31-30-18)12-19(17)28-22(21(23)25)15-9-11-26-20(13-15)33-3;1-2-29-19-15-21(27-12-3-4-13-27)26-18-14-16(7-8-17(18)19)22(28)25-9-5-6-20-23-10-11-24-20;1-13-17-9-6-15(21(29)23-10-2-3-19-24-12-25-28-19)11-18(17)27-20(26-13)14-4-7-16(22)8-5-14;1-3-26-17-13-19(27-4-2)24-16-12-14(7-8-15(16)17)20(25)23-9-5-6-18-21-10-11-22-18/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,26,32)(H,27,28,31);7-9,11-13H,4-6,10H2,1-3H3,(H,27,32)(H,29,30,31);7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,23,24)(H,25,28);4-9,11-12H,2-3,10H2,1H3,(H,23,29)(H,24,25,28);7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide?
2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide has a molecular weight of 2114.26 g/mol, XLogP of 17.40, 43 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2-methoxyethoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide;2,4-diethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]-2-pyrrolidin-1-ylquinoline-7-carboxamide is sourced from PubChem (CID 159414711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159414711 — identifiers, structure, computed properties (public domain)
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