ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate

C30H29N3O2 — CID 20852601

IUPACethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1
InChIInChI=1S/C30H29N3O2/c1-6-35-29(34)21-11-16-26-24(17-21)28-25(18-31-26)27(20-9-7-19(2)8-10-20)32-33(28)23-14-12-22(13-15-23)30(3,4)5/h7-18H,6H2,1-5H3
InChIKeyBWCJHEUDXCLMHV-UHFFFAOYSA-N
MW463.58 g/mol
LogP7.02
Rot. Bonds4

About ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate

ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate (PubChem CID 20852601) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
PubChem CID20852601
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Nameethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1
InChIInChI=1S/C30H29N3O2/c1-6-35-29(34)21-11-16-26-24(17-21)28-25(18-31-26)27(20-9-7-19(2)8-10-20)32-33(28)23-14-12-22(13-15-23)30(3,4)5/h7-18H,6H2,1-5H3
InChIKeyBWCJHEUDXCLMHV-UHFFFAOYSA-N
XLogP7.02
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
CID 20852512
ethyl 3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 46251423
8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852797
ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 134853494
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852644
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852730
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
CID 20852806

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate?
The IUPAC name of ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate (CID 20852601) is ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate?
The canonical SMILES for ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate is CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1.
What is the InChIKey of ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate?
The InChIKey is BWCJHEUDXCLMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-6-35-29(34)21-11-16-26-24(17-21)28-25(18-31-26)27(20-9-7-19(2)8-10-20)32-33(28)23-14-12-22(13-15-23)30(3,4)5/h7-18H,6H2,1-5H3.
What are the key properties of ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate?
ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate is sourced from PubChem (CID 20852601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).