1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea

C22H22ClN3O2 — CID 71208596

IUPAC1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)NC1CCCC1
InChIInChI=1S/C22H22ClN3O2/c23-16-10-11-19-20(12-16)26(18-8-2-1-3-9-18)14-15(21(19)27)13-24-22(28)25-17-6-4-5-7-17/h1-3,8-12,14,17H,4-7,13H2,(H2,24,25,28)
InChIKeyRNNJVLBIQHOYDC-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.39
Rot. Bonds4

About 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea

1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea (PubChem CID 71208596) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea
PubChem CID71208596
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)NC1CCCC1
InChIInChI=1S/C22H22ClN3O2/c23-16-10-11-19-20(12-16)26(18-8-2-1-3-9-18)14-15(21(19)27)13-24-22(28)25-17-6-4-5-7-17/h1-3,8-12,14,17H,4-7,13H2,(H2,24,25,28)
InChIKeyRNNJVLBIQHOYDC-UHFFFAOYSA-N
XLogP4.39
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-4-hydroxyquinoline
CID 66593
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
Pencycuron-ketone
CID 139595074
7-chloro-N-cyclohexyl-1-(2-morpholinoethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 16086891
2-({3-[(3,5-Dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-One
CID 18353708
2-[[2-(4-Chlorophenyl)-2-oxoethyl]amino]benzamide
CID 2796987
7-Chloro-2-phenylquinolin-4-ol
CID 371056
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3257222
N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylpropanamide
CID 4975529
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 8025929
4-(7-chloro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 3237124
4-(7-Chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-YL)-N-cyclooctylbutanamide
CID 6621547

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea?
The IUPAC name of 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea (CID 71208596) is 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea?
The canonical SMILES for 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)NC1CCCC1.
What is the InChIKey of 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea?
The InChIKey is RNNJVLBIQHOYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-16-10-11-19-20(12-16)26(18-8-2-1-3-9-18)14-15(21(19)27)13-24-22(28)25-17-6-4-5-7-17/h1-3,8-12,14,17H,4-7,13H2,(H2,24,25,28).
What are the key properties of 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea?
1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea has a molecular weight of 395.89 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-cyclopentylurea is sourced from PubChem (CID 71208596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).