5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide

C84H89FN22O8 — CID 159675397

IUPAC5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide
SMILESCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccccc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cc[nH]c1)c1ccc(N(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cccnc1)c1ccc(F)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cnccn1)c1ccc(OCCN(C)C)cc21
InChIInChI=1S/C23H27N7O3.C21H24N6O2.C20H18FN5O2.C20H20N4O/c1-15-20-21(28-27-15)17-13-16(33-12-11-29(2)3)5-6-19(17)30(23(20)32)10-4-7-26-22(31)18-14-24-8-9-25-18;1-13-18-19(25-24-13)16-11-15(26(2)3)5-6-17(16)27(21(18)29)10-4-8-23-20(28)14-7-9-22-12-14;1-12-17-18(25-24-12)15-10-14(21)5-6-16(15)26(20(17)28)9-3-8-23-19(27)13-4-2-7-22-11-13;1-13-18-19(23-22-13)16-12-15(14-6-3-2-4-7-14)8-9-17(16)24(20(18)25)11-5-10-21/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3,(H,26,31)(H,27,28);5-7,9,11-12,22H,4,8,10H2,1-3H3,(H,23,28)(H,24,25);2,4-7,10-11H,3,8-9H2,1H3,(H,23,27)(H,24,25);2-4,6-9,12H,5,10-11,21H2,1H3,(H,22,23)
InChIKeyMUNMUBXDZNLBKD-UHFFFAOYSA-N
MW1553.78 g/mol
LogP9.88
Rot. Bonds24

About 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide

5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide (PubChem CID 159675397) has the molecular formula C84H89FN22O8 and a molecular weight of 1553.78 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide
PubChem CID159675397
Molecular FormulaC84H89FN22O8
Molecular Weight1553.78 g/mol
Exact Mass1552.72
IUPAC Name5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide
SMILESCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccccc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cc[nH]c1)c1ccc(N(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cccnc1)c1ccc(F)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cnccn1)c1ccc(OCCN(C)C)cc21
InChIInChI=1S/C23H27N7O3.C21H24N6O2.C20H18FN5O2.C20H20N4O/c1-15-20-21(28-27-15)17-13-16(33-12-11-29(2)3)5-6-19(17)30(23(20)32)10-4-7-26-22(31)18-14-24-8-9-25-18;1-13-18-19(25-24-13)16-11-15(26(2)3)5-6-17(16)27(21(18)29)10-4-8-23-20(28)14-7-9-22-12-14;1-12-17-18(25-24-12)15-10-14(21)5-6-16(15)26(20(17)28)9-3-8-23-19(27)13-4-2-7-22-11-13;1-13-18-19(23-22-13)16-12-15(14-6-3-2-4-7-14)8-9-17(16)24(20(18)25)11-5-10-21/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3,(H,26,31)(H,27,28);5-7,9,11-12,22H,4,8,10H2,1-3H3,(H,23,28)(H,24,25);2,4-7,10-11H,3,8-9H2,1H3,(H,23,27)(H,24,25);2-4,6-9,12H,5,10-11,21H2,1H3,(H,22,23)
InChIKeyMUNMUBXDZNLBKD-UHFFFAOYSA-N
XLogP9.88
TPSA386.21 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001553.78
LogP ≤ 59.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide (CID 159675397) is 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide is Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccccc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cc[nH]c1)c1ccc(N(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cccnc1)c1ccc(F)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1cnccn1)c1ccc(OCCN(C)C)cc21.
What is the InChIKey of 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide?
The InChIKey is MUNMUBXDZNLBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3.C21H24N6O2.C20H18FN5O2.C20H20N4O/c1-15-20-21(28-27-15)17-13-16(33-12-11-29(2)3)5-6-19(17)30(23(20)32)10-4-7-26-22(31)18-14-24-8-9-25-18;1-13-18-19(25-24-13)16-11-15(26(2)3)5-6-17(16)27(21(18)29)10-4-8-23-20(28)14-7-9-22-12-14;1-12-17-18(25-24-12)15-10-14(21)5-6-16(15)26(20(17)28)9-3-8-23-19(27)13-4-2-7-22-11-13;1-13-18-19(23-22-13)16-12-15(14-6-3-2-4-7-14)8-9-17(16)24(20(18)25)11-5-10-21/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3,(H,26,31)(H,27,28);5-7,9,11-12,22H,4,8,10H2,1-3H3,(H,23,28)(H,24,25);2,4-7,10-11H,3,8-9H2,1H3,(H,23,27)(H,24,25);2-4,6-9,12H,5,10-11,21H2,1H3,(H,22,23).
What are the key properties of 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide?
5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide has a molecular weight of 1553.78 g/mol, XLogP of 9.88, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-methyl-8-phenyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyrazine-2-carboxamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-1H-pyrrole-3-carboxamide;N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 159675397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).