6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline
C116H122ClF6N19O2 — CID 157499980
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline
SMILESCC(C)c1ccnc2[nH]ccc(=O)c12.CC(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)c1ccnc2cc(C(F)(F)F)ncc12.CC(C)c1ccnc2ccc(C(N)=O)cc12.CC(C)c1ccnc2ccc(Cl)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccnc(N)c12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2ccncc12
InChIInChI=1S/C13H12F3N.C13H14N2O.C12H12ClN.C12H11F3N2.C12H13N.C11H13N3.C11H12N2O.2C11H12N2.C10H11N3/c1-8(2)10-5-6-17-12-7-9(13(14,15)16)3-4-11(10)12;1-8(2)10-5-6-15-12-4-3-9(13(14)16)7-11(10)12;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-7(2)8-3-4-16-10-5-11(12(13,14)15)17-6-9(8)10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-13-9-4-6-14-11(12)10(8)9;1-7(2)8-3-5-12-11-10(8)9(14)4-6-13-11;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-7(2)10-8-5-11-4-3-9(8)12-6-13-10/h3-8H,1-2H3;3-8H,1-2H3,(H2,14,16);3-8H,1-2H3;3-7H,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H2,12,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-7H,1-2H3
InChIKeyBYHFJNRTDGVPSI-UHFFFAOYSA-N
MW1963.82 g/mol
LogP30.01
Rot. Bonds11
About 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline
6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline (PubChem CID 157499980) has the molecular formula C116H122ClF6N19O2 and a molecular weight of 1963.82 g/mol. Its IUPAC name is 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline.
Molecular Properties
| Compound Name | 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline |
|---|---|
| PubChem CID | 157499980 |
| Molecular Formula | C116H122ClF6N19O2 |
| Molecular Weight | 1963.82 g/mol |
| Exact Mass | 1961.96 |
| IUPAC Name | 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline |
| SMILES | CC(C)c1ccnc2[nH]ccc(=O)c12.CC(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)c1ccnc2cc(C(F)(F)F)ncc12.CC(C)c1ccnc2ccc(C(N)=O)cc12.CC(C)c1ccnc2ccc(Cl)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccnc(N)c12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2ccncc12 |
| InChI | InChI=1S/C13H12F3N.C13H14N2O.C12H12ClN.C12H11F3N2.C12H13N.C11H13N3.C11H12N2O.2C11H12N2.C10H11N3/c1-8(2)10-5-6-17-12-7-9(13(14,15)16)3-4-11(10)12;1-8(2)10-5-6-15-12-4-3-9(13(14)16)7-11(10)12;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-7(2)8-3-4-16-10-5-11(12(13,14)15)17-6-9(8)10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-13-9-4-6-14-11(12)10(8)9;1-7(2)8-3-5-12-11-10(8)9(14)4-6-13-11;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-7(2)10-8-5-11-4-3-9(8)12-6-13-10/h3-8H,1-2H3;3-8H,1-2H3,(H2,14,16);3-8H,1-2H3;3-7H,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H2,12,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-7H,1-2H3 |
| InChIKey | BYHFJNRTDGVPSI-UHFFFAOYSA-N |
| XLogP | 30.01 |
| TPSA | 308.21 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 144 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1963.82 |
| LogP ≤ 5 | 30.01 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 19 |
Frequently Asked Questions
What is the IUPAC name of 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline?
The IUPAC name of 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline (CID 157499980) is 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline?
The canonical SMILES for 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline is CC(C)c1ccnc2[nH]ccc(=O)c12.CC(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)c1ccnc2cc(C(F)(F)F)ncc12.CC(C)c1ccnc2ccc(C(N)=O)cc12.CC(C)c1ccnc2ccc(Cl)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccnc(N)c12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2ccncc12.
What is the InChIKey of 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline?
The InChIKey is BYHFJNRTDGVPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N.C13H14N2O.C12H12ClN.C12H11F3N2.C12H13N.C11H13N3.C11H12N2O.2C11H12N2.C10H11N3/c1-8(2)10-5-6-17-12-7-9(13(14,15)16)3-4-11(10)12;1-8(2)10-5-6-15-12-4-3-9(13(14)16)7-11(10)12;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-7(2)8-3-4-16-10-5-11(12(13,14)15)17-6-9(8)10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-13-9-4-6-14-11(12)10(8)9;1-7(2)8-3-5-12-11-10(8)9(14)4-6-13-11;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-7(2)10-8-5-11-4-3-9(8)12-6-13-10/h3-8H,1-2H3;3-8H,1-2H3,(H2,14,16);3-8H,1-2H3;3-7H,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H2,12,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline?
6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline has a molecular weight of 1963.82 g/mol, XLogP of 30.01, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 157499980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157499980 — identifiers, structure, computed properties (public domain)
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