N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide

C21H20ClN3O2 — CID 123871770

IUPACN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)N1CCCC1
InChIInChI=1S/C21H20ClN3O2/c22-15-8-9-16-18(12-15)23-13-17(20(16)26)19(14-6-2-1-3-7-14)24-21(27)25-10-4-5-11-25/h1-3,6-9,12-13,19H,4-5,10-11H2,(H,23,26)(H,24,27)
InChIKeyAGMNBQJCFZLIGK-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.08
Rot. Bonds3

About N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide

N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide (PubChem CID 123871770) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide
PubChem CID123871770
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)N1CCCC1
InChIInChI=1S/C21H20ClN3O2/c22-15-8-9-16-18(12-15)23-13-17(20(16)26)19(14-6-2-1-3-7-14)24-21(27)25-10-4-5-11-25/h1-3,6-9,12-13,19H,4-5,10-11H2,(H,23,26)(H,24,27)
InChIKeyAGMNBQJCFZLIGK-UHFFFAOYSA-N
XLogP4.08
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597279
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 123327721
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide
CID 71208128
tert-butyl 3-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71208614
methyl 4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxylate
CID 71208737
(1-methylpyrazol-4-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597244
(2-morpholin-4-yl-1,3-thiazol-5-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597198
6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide
CID 123500701
tert-butyl N-[4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexyl]carbamate
CID 71208469
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 71208528
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 123588831
1-[[(2,5-dichlorophenyl)-phenylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122009769

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide (CID 123871770) is N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide is O=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)N1CCCC1.
What is the InChIKey of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide?
The InChIKey is AGMNBQJCFZLIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-15-8-9-16-18(12-15)23-13-17(20(16)26)19(14-6-2-1-3-7-14)24-21(27)25-10-4-5-11-25/h1-3,6-9,12-13,19H,4-5,10-11H2,(H,23,26)(H,24,27).
What are the key properties of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide?
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 123871770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).