N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide

C22H21ClN2O3 — CID 110416036

IUPACN-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1cc2cc(CCNC(=O)C3CC3c3ccccc3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C22H21ClN2O3/c1-28-20-10-15-9-14(21(26)25-19(15)12-18(20)23)7-8-24-22(27)17-11-16(17)13-5-3-2-4-6-13/h2-6,9-10,12,16-17H,7-8,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyKGSLUOLNQKYJRG-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.65
Rot. Bonds6

About N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide

N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 110416036) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID110416036
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC NameN-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1cc2cc(CCNC(=O)C3CC3c3ccccc3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C22H21ClN2O3/c1-28-20-10-15-9-14(21(26)25-19(15)12-18(20)23)7-8-24-22(27)17-11-16(17)13-5-3-2-4-6-13/h2-6,9-10,12,16-17H,7-8,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyKGSLUOLNQKYJRG-UHFFFAOYSA-N
XLogP3.65
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110415585
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclohexanecarboxamide
CID 110415534
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
CID 110415543
1-tert-butyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110662896
1-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 110609264
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 110416036) is N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide is COc1cc2cc(CCNC(=O)C3CC3c3ccccc3)c(=O)[nH]c2cc1Cl.
What is the InChIKey of N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KGSLUOLNQKYJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-28-20-10-15-9-14(21(26)25-19(15)12-18(20)23)7-8-24-22(27)17-11-16(17)13-5-3-2-4-6-13/h2-6,9-10,12,16-17H,7-8,11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide?
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 396.87 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 110416036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).