ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate

C25H19N3O2 — CID 6621852

IUPACethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C25H19N3O2/c1-2-30-25(29)18-13-14-22-20(15-18)24-21(16-26-22)23(17-9-5-3-6-10-17)27-28(24)19-11-7-4-8-12-19/h3-16H,2H2,1H3
InChIKeyOXNSJQDQTLPVLK-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.42
Rot. Bonds4

About ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate

ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate (PubChem CID 6621852) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate
PubChem CID6621852
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Nameethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1
InChIInChI=1S/C25H19N3O2/c1-2-30-25(29)18-13-14-22-20(15-18)24-21(16-26-22)23(17-9-5-3-6-10-17)27-28(24)19-11-7-4-8-12-19/h3-16H,2H2,1H3
InChIKeyOXNSJQDQTLPVLK-UHFFFAOYSA-N
XLogP5.42
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl quinoline-6-carboxylate
CID 736812
Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
methyl 4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carboxylate
CID 24776250
methyl 3-[4-[4-(9-amino-5,6,7,8-tetrahydroacridin-1-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate
CID 145960719
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)ethyl benzoate
CID 294609
Ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
CID 705510
Ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
CID 13038515
Methyl 9-(3-morpholinopropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397328
Methyl 4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]benzoate
CID 168271341
Methyl 4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzoate
CID 168280421
6-Quinolinecarboxylic acid, ethyl ester
CID 94670

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The IUPAC name of ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate (CID 6621852) is ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The canonical SMILES for ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate is CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1.
What is the InChIKey of ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The InChIKey is OXNSJQDQTLPVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-2-30-25(29)18-13-14-22-20(15-18)24-21(16-26-22)23(17-9-5-3-6-10-17)27-28(24)19-11-7-4-8-12-19/h3-16H,2H2,1H3.
What are the key properties of ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate?
ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate has a molecular weight of 393.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-diphenylpyrazolo[4,3-c]quinoline-8-carboxylate is sourced from PubChem (CID 6621852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).