4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide

C28H24ClN3O3 — CID 58272647

IUPAC4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
SMILESCc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)c2cc1C(=O)Nc1ccccn1
InChIInChI=1S/C28H24ClN3O3/c1-17-12-25-23(16-22(17)28(34)32-27-4-2-3-10-31-27)26(9-11-30-25)35-21-8-7-19(24(29)15-21)14-20(33)13-18-5-6-18/h2-4,7-12,15-16,18H,5-6,13-14H2,1H3,(H,31,32,34)
InChIKeyQXBWKDUSXUCRPW-UHFFFAOYSA-N
MW485.97 g/mol
LogP6.55
Rot. Bonds8

About 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide

4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide (PubChem CID 58272647) has the molecular formula C28H24ClN3O3 and a molecular weight of 485.97 g/mol. Its IUPAC name is 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
PubChem CID58272647
Molecular FormulaC28H24ClN3O3
Molecular Weight485.97 g/mol
Exact Mass485.15
IUPAC Name4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
SMILESCc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)c2cc1C(=O)Nc1ccccn1
InChIInChI=1S/C28H24ClN3O3/c1-17-12-25-23(16-22(17)28(34)32-27-4-2-3-10-31-27)26(9-11-30-25)35-21-8-7-19(24(29)15-21)14-20(33)13-18-5-6-18/h2-4,7-12,15-16,18H,5-6,13-14H2,1H3,(H,31,32,34)
InChIKeyQXBWKDUSXUCRPW-UHFFFAOYSA-N
XLogP6.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-ethyl-7-methylquinoline-6-carboxamide
CID 58272742
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(1,3-dihydroxypropan-2-yl)-7-methylquinoline-6-carboxamide
CID 58272388
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(2-ethoxyethyl)-7-methylquinoline-6-carboxamide
CID 58272184
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-methyl-7-phenylmethoxyquinoline-6-carboxamide
CID 58272228
N-[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-6-yl]formamide
CID 58272638
4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272814
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-(hydroxymethyl)quinoline-6-carboxamide;4-chloro-7-(hydroxymethyl)quinoline-6-carboxamide;1-(2-chloro-4-hydroxyphenyl)-3-cyclopropylpropan-2-one;methane;hydroiodide
CID 161228347
4-[3-chloro-4-(2-oxobutyl)phenoxy]-N-ethyl-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-6-carboxamide
CID 58272202
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
N-[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-[(2S)-2,3-dihydroxypropoxy]quinolin-6-yl]formamide
CID 58272929
1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one
CID 58272886
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]quinoline-6-carboxamide
CID 58272663

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide (CID 58272647) is 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide is Cc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)c2cc1C(=O)Nc1ccccn1.
What is the InChIKey of 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide?
The InChIKey is QXBWKDUSXUCRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3/c1-17-12-25-23(16-22(17)28(34)32-27-4-2-3-10-31-27)26(9-11-30-25)35-21-8-7-19(24(29)15-21)14-20(33)13-18-5-6-18/h2-4,7-12,15-16,18H,5-6,13-14H2,1H3,(H,31,32,34).
What are the key properties of 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide?
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide is sourced from PubChem (CID 58272647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).