4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

C32H35ClN4O4 — CID 147904796

IUPAC4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C32H35ClN4O4/c1-32(2,3)30-15-21(37(36-30)20-7-5-6-8-20)14-22(38)13-19-9-10-23(16-26(19)33)41-28-11-12-35-27-18-29(40-4)25(31(34)39)17-24(27)28/h9-12,15-18,20H,5-8,13-14H2,1-4H3,(H2,34,39)
InChIKeyIEYYTTWQLGVHSH-UHFFFAOYSA-N
MW575.11 g/mol
LogP6.75
Rot. Bonds9

About 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 147904796) has the molecular formula C32H35ClN4O4 and a molecular weight of 575.11 g/mol. Its IUPAC name is 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID147904796
Molecular FormulaC32H35ClN4O4
Molecular Weight575.11 g/mol
Exact Mass574.23
IUPAC Name4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C32H35ClN4O4/c1-32(2,3)30-15-21(37(36-30)20-7-5-6-8-20)14-22(38)13-19-9-10-23(16-26(19)33)41-28-11-12-35-27-18-29(40-4)25(31(34)39)17-24(27)28/h9-12,15-18,20H,5-8,13-14H2,1-4H3,(H2,34,39)
InChIKeyIEYYTTWQLGVHSH-UHFFFAOYSA-N
XLogP6.75
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.11
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide with MolForge

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Related Compounds

1-N'-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 134334010
Methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate
CID 171346145
4-[4-[[4-(1-Adamantylcarbamoyl)-1-methylpyrazol-3-yl]amino]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 171342126
4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide
CID 22936472
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58272378
4-[3-chloro-2-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134334196
4-[3-Chloro-4-(3-cyclopropyl-2-sulfanylidenepropyl)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 147640053
4-[5-Chloro-4-(3-cyclopropyl-2-sulfanylidenepropyl)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 149341217
4-(4-Amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 154625444
4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 157246873
4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-phenylmethoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157371862
1-[1-[2-[5-Chloro-6-[7-methoxy-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy-3-pyridinyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 160135465

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (CID 147904796) is 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C4CCCC4)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is IEYYTTWQLGVHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN4O4/c1-32(2,3)30-15-21(37(36-30)20-7-5-6-8-20)14-22(38)13-19-9-10-23(16-26(19)33)41-28-11-12-35-27-18-29(40-4)25(31(34)39)17-24(27)28/h9-12,15-18,20H,5-8,13-14H2,1-4H3,(H2,34,39).
What are the key properties of 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 575.11 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-2-oxopropyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 147904796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).