5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate

C81H82N16O9 — CID 162115476

IUPAC5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate
SMILESCC(=O)OCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.COc1ccccc1C(=O)NCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.Cc1[nH]nc2c1c(=O)n(CC(C)(C)CNC(=O)c1ccncc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCN1CCc3ccccc3C1)c1ccccc21
InChIInChI=1S/C23H24N4O.C22H23N5O2.C21H20N4O3.C15H15N3O3/c1-16-21-22(25-24-16)19-9-4-5-10-20(19)27(23(21)28)13-6-12-26-14-11-17-7-2-3-8-18(17)15-26;1-14-18-19(26-25-14)16-6-4-5-7-17(16)27(21(18)29)13-22(2,3)12-24-20(28)15-8-10-23-11-9-15;1-13-18-19(24-23-13)14-7-3-5-9-16(14)25(21(18)27)12-11-22-20(26)15-8-4-6-10-17(15)28-2;1-9-13-14(17-16-9)11-5-3-4-6-12(11)18(15(13)20)7-8-21-10(2)19/h2-5,7-10H,6,11-15H2,1H3,(H,24,25);4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26);3-10H,11-12H2,1-2H3,(H,22,26)(H,23,24);3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyZGRZRVDYADSMQH-UHFFFAOYSA-N
MW1423.65 g/mol
LogP11.05
Rot. Bonds17

About 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate

5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate (PubChem CID 162115476) has the molecular formula C81H82N16O9 and a molecular weight of 1423.65 g/mol. Its IUPAC name is 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate.

Molecular Properties

Compound Name5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate
PubChem CID162115476
Molecular FormulaC81H82N16O9
Molecular Weight1423.65 g/mol
Exact Mass1422.65
IUPAC Name5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate
SMILESCC(=O)OCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.COc1ccccc1C(=O)NCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.Cc1[nH]nc2c1c(=O)n(CC(C)(C)CNC(=O)c1ccncc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCN1CCc3ccccc3C1)c1ccccc21
InChIInChI=1S/C23H24N4O.C22H23N5O2.C21H20N4O3.C15H15N3O3/c1-16-21-22(25-24-16)19-9-4-5-10-20(19)27(23(21)28)13-6-12-26-14-11-17-7-2-3-8-18(17)15-26;1-14-18-19(26-25-14)16-6-4-5-7-17(16)27(21(18)29)13-22(2,3)12-24-20(28)15-8-10-23-11-9-15;1-13-18-19(24-23-13)14-7-3-5-9-16(14)25(21(18)27)12-11-22-20(26)15-8-4-6-10-17(15)28-2;1-9-13-14(17-16-9)11-5-3-4-6-12(11)18(15(13)20)7-8-21-10(2)19/h2-5,7-10H,6,11-15H2,1H3,(H,24,25);4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26);3-10H,11-12H2,1-2H3,(H,22,26)(H,23,24);3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyZGRZRVDYADSMQH-UHFFFAOYSA-N
XLogP11.05
TPSA312.58 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001423.65
LogP ≤ 511.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate?
The IUPAC name of 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate (CID 162115476) is 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate.
What is the SMILES notation for 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate?
The canonical SMILES for 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate is CC(=O)OCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.COc1ccccc1C(=O)NCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.Cc1[nH]nc2c1c(=O)n(CC(C)(C)CNC(=O)c1ccncc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCN1CCc3ccccc3C1)c1ccccc21.
What is the InChIKey of 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate?
The InChIKey is ZGRZRVDYADSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C22H23N5O2.C21H20N4O3.C15H15N3O3/c1-16-21-22(25-24-16)19-9-4-5-10-20(19)27(23(21)28)13-6-12-26-14-11-17-7-2-3-8-18(17)15-26;1-14-18-19(26-25-14)16-6-4-5-7-17(16)27(21(18)29)13-22(2,3)12-24-20(28)15-8-10-23-11-9-15;1-13-18-19(24-23-13)14-7-3-5-9-16(14)25(21(18)27)12-11-22-20(26)15-8-4-6-10-17(15)28-2;1-9-13-14(17-16-9)11-5-3-4-6-12(11)18(15(13)20)7-8-21-10(2)19/h2-5,7-10H,6,11-15H2,1H3,(H,24,25);4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26);3-10H,11-12H2,1-2H3,(H,22,26)(H,23,24);3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate?
5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate has a molecular weight of 1423.65 g/mol, XLogP of 11.05, 17 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[2,2-dimethyl-3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pyridine-4-carboxamide;2-methoxy-N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]benzamide;2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl acetate is sourced from PubChem (CID 162115476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).