5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide

C96H106ClN21O12 — CID 160674076

IUPAC5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)cc1OC.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCNC(=O)NC1CCCCC1)c1cc(Cl)ccc21.Cc1[nH]nc2c1c(=O)n(CCNC(=O)OC(C)(C)C)c1ccccc21
InChIInChI=1S/C23H24N4O4.C21H20N4O2.C20H24ClN5O2.C18H22N4O3.C14H16N4O/c1-14-20-21(26-25-14)16-7-4-5-8-17(16)27(23(20)29)12-6-11-24-22(28)15-9-10-18(30-2)19(13-15)31-3;1-14-18-19(24-23-14)16-10-5-6-11-17(16)25(21(18)27)13-7-12-22-20(26)15-8-3-2-4-9-15;1-12-17-18(25-24-12)15-8-7-13(21)11-16(15)26(19(17)27)10-9-22-20(28)23-14-5-3-2-4-6-14;1-11-14-15(21-20-11)12-7-5-6-8-13(12)22(16(14)23)10-9-19-17(24)25-18(2,3)4;1-9-12-13(17-16-9)10-5-2-3-6-11(10)18(14(12)19)8-4-7-15/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,28)(H,25,26);2-6,8-11H,7,12-13H2,1H3,(H,22,26)(H,23,24);7-8,11,14H,2-6,9-10H2,1H3,(H,24,25)(H2,22,23,28);5-8H,9-10H2,1-4H3,(H,19,24)(H,20,21);2-3,5-6H,4,7-8,15H2,1H3,(H,16,17)
InChIKeyRNHOQAVBDDNUMI-UHFFFAOYSA-N
MW1781.49 g/mol
LogP13.75
Rot. Bonds22

About 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide

5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide (PubChem CID 160674076) has the molecular formula C96H106ClN21O12 and a molecular weight of 1781.49 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
PubChem CID160674076
Molecular FormulaC96H106ClN21O12
Molecular Weight1781.49 g/mol
Exact Mass1779.80
IUPAC Name5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)cc1OC.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCNC(=O)NC1CCCCC1)c1cc(Cl)ccc21.Cc1[nH]nc2c1c(=O)n(CCNC(=O)OC(C)(C)C)c1ccccc21
InChIInChI=1S/C23H24N4O4.C21H20N4O2.C20H24ClN5O2.C18H22N4O3.C14H16N4O/c1-14-20-21(26-25-14)16-7-4-5-8-17(16)27(23(20)29)12-6-11-24-22(28)15-9-10-18(30-2)19(13-15)31-3;1-14-18-19(24-23-14)16-10-5-6-11-17(16)25(21(18)27)13-7-12-22-20(26)15-8-3-2-4-9-15;1-12-17-18(25-24-12)15-8-7-13(21)11-16(15)26(19(17)27)10-9-22-20(28)23-14-5-3-2-4-6-14;1-11-14-15(21-20-11)12-7-5-6-8-13(12)22(16(14)23)10-9-19-17(24)25-18(2,3)4;1-9-12-13(17-16-9)10-5-2-3-6-11(10)18(14(12)19)8-4-7-15/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,28)(H,25,26);2-6,8-11H,7,12-13H2,1H3,(H,22,26)(H,23,24);7-8,11,14H,2-6,9-10H2,1H3,(H,24,25)(H2,22,23,28);5-8H,9-10H2,1-4H3,(H,19,24)(H,20,21);2-3,5-6H,4,7-8,15H2,1H3,(H,16,17)
InChIKeyRNHOQAVBDDNUMI-UHFFFAOYSA-N
XLogP13.75
TPSA435.54 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001781.49
LogP ≤ 513.75
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?
The IUPAC name of 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide (CID 160674076) is 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide.
What is the SMILES notation for 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?
The canonical SMILES for 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide is COc1ccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)cc1OC.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCNC(=O)NC1CCCCC1)c1cc(Cl)ccc21.Cc1[nH]nc2c1c(=O)n(CCNC(=O)OC(C)(C)C)c1ccccc21.
What is the InChIKey of 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?
The InChIKey is RNHOQAVBDDNUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4.C21H20N4O2.C20H24ClN5O2.C18H22N4O3.C14H16N4O/c1-14-20-21(26-25-14)16-7-4-5-8-17(16)27(23(20)29)12-6-11-24-22(28)15-9-10-18(30-2)19(13-15)31-3;1-14-18-19(24-23-14)16-10-5-6-11-17(16)25(21(18)27)13-7-12-22-20(26)15-8-3-2-4-9-15;1-12-17-18(25-24-12)15-8-7-13(21)11-16(15)26(19(17)27)10-9-22-20(28)23-14-5-3-2-4-6-14;1-11-14-15(21-20-11)12-7-5-6-8-13(12)22(16(14)23)10-9-19-17(24)25-18(2,3)4;1-9-12-13(17-16-9)10-5-2-3-6-11(10)18(14(12)19)8-4-7-15/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,28)(H,25,26);2-6,8-11H,7,12-13H2,1H3,(H,22,26)(H,23,24);7-8,11,14H,2-6,9-10H2,1H3,(H,24,25)(H2,22,23,28);5-8H,9-10H2,1-4H3,(H,19,24)(H,20,21);2-3,5-6H,4,7-8,15H2,1H3,(H,16,17).
What are the key properties of 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?
5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide has a molecular weight of 1781.49 g/mol, XLogP of 13.75, 22 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide is sourced from PubChem (CID 160674076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).