1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea

C23H20ClN3O2 — CID 30372487

IUPAC1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2
InChIInChI=1S/C23H20ClN3O2/c24-18-9-12-19(13-10-18)25-23(29)26-20-11-8-16-7-4-14-27(21(16)15-20)22(28)17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14H2,(H2,25,26,29)
InChIKeyGLMFZXQZOZYVOF-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.58
Rot. Bonds3

About 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea

1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea (PubChem CID 30372487) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
PubChem CID30372487
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2
InChIInChI=1S/C23H20ClN3O2/c24-18-9-12-19(13-10-18)25-23(29)26-20-11-8-16-7-4-14-27(21(16)15-20)22(28)17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14H2,(H2,25,26,29)
InChIKeyGLMFZXQZOZYVOF-UHFFFAOYSA-N
XLogP5.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
CID 46384443
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-5-chloro-2-nitrobenzamide
CID 16835054
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide
CID 71806504
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
CID 16835050
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 46384423

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea (CID 30372487) is 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2.
What is the InChIKey of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea?
The InChIKey is GLMFZXQZOZYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-18-9-12-19(13-10-18)25-23(29)26-20-11-8-16-7-4-14-27(21(16)15-20)22(28)17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14H2,(H2,25,26,29).
What are the key properties of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea?
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea has a molecular weight of 405.89 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 30372487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).