5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate

C87H104N22O14 — CID 157171790

About 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate

5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate (PubChem CID 157171790) has the molecular formula C87H104N22O14 and a molecular weight of 1681.93 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate
• PubChem CID: 157171790
• Molecular Formula: C87H104N22O14
• Molecular Weight: 1681.93 g/mol
• Exact Mass: 1680.81
• IUPAC Name: 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate
• SMILES: COC(=O)/C=C/c1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.COC(=O)CCc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C(=O)O)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(CCC(=O)O)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)CCN(C)C)cc21
• InChI: InChI=1S/C19H26N6O2.C18H22N4O3.C18H20N4O3.C17H20N4O3.C15H16N4O3/c1-12-17-18(23-22-12)14-11-13(21-16(26)7-10-24(2)3)5-6-15(14)25(19(17)27)9-4-8-20;2*1-11-16-17(21-20-11)13-10-12(5-7-15(23)25-2)4-6-14(13)22(18(16)24)9-3-8-19;1-10-15-16(20-19-10)12-9-11(4-6-14(22)23)3-5-13(12)21(17(15)24)8-2-7-18;1-8-12-13(18-17-8)10-7-9(15(21)22)3-4-11(10)19(14(12)20)6-2-5-16/h5-6,11H,4,7-10,20H2,1-3H3,(H,21,26)(H,22,23);4,6,10H,3,5,7-9,19H2,1-2H3,(H,20,21);4-7,10H,3,8-9,19H2,1-2H3,(H,20,21);3,5,9H,2,4,6-8,18H2,1H3,(H,19,20)(H,22,23);3-4,7H,2,5-6,16H2,1H3,(H,17,18)(H,21,22)/b;;7-5+
• InChIKey: ANNZCTDBVYPNAX-ZALWJNKVSA-N
• XLogP: 7.57
• TPSA: 543.04 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1681.93
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate?

The IUPAC name of 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate (CID 157171790) is 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate.

What is the SMILES notation for 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate?

The canonical SMILES for 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate is COC(=O)/C=C/c1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.COC(=O)CCc1ccc2c(c1)c1n[nH]c(C)c1c(=O)n2CCCN.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C(=O)O)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(CCC(=O)O)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(NC(=O)CCN(C)C)cc21.

What is the InChIKey of 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate?

The InChIKey is ANNZCTDBVYPNAX-ZALWJNKVSA-N. The full InChI is InChI=1S/C19H26N6O2.C18H22N4O3.C18H20N4O3.C17H20N4O3.C15H16N4O3/c1-12-17-18(23-22-12)14-11-13(21-16(26)7-10-24(2)3)5-6-15(14)25(19(17)27)9-4-8-20;2*1-11-16-17(21-20-11)13-10-12(5-7-15(23)25-2)4-6-14(13)22(18(16)24)9-3-8-19;1-10-15-16(20-19-10)12-9-11(4-6-14(22)23)3-5-13(12)21(17(15)24)8-2-7-18;1-8-12-13(18-17-8)10-7-9(15(21)22)3-4-11(10)19(14(12)20)6-2-5-16/h5-6,11H,4,7-10,20H2,1-3H3,(H,21,26)(H,22,23);4,6,10H,3,5,7-9,19H2,1-2H3,(H,20,21);4-7,10H,3,8-9,19H2,1-2H3,(H,20,21);3,5,9H,2,4,6-8,18H2,1H3,(H,19,20)(H,22,23);3-4,7H,2,5-6,16H2,1H3,(H,17,18)(H,21,22)/b;;7-5+;;.

What are the key properties of 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate?

5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate has a molecular weight of 1681.93 g/mol, XLogP of 7.57, 28 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate is sourced from PubChem (CID 157171790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).