1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea

C25H25N3O2 — CID 30374073

IUPAC1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24(20-10-5-2-6-11-20)28-17-7-12-21-18-22(13-14-23(21)28)27-25(30)26-16-15-19-8-3-1-4-9-19/h1-6,8-11,13-14,18H,7,12,15-17H2,(H2,26,27,30)
InChIKeyWBJNRFQBFCICCH-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.64
Rot. Bonds5

About 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea

1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea (PubChem CID 30374073) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
PubChem CID30374073
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24(20-10-5-2-6-11-20)28-17-7-12-21-18-22(13-14-23(21)28)27-25(30)26-16-15-19-8-3-1-4-9-19/h1-6,8-11,13-14,18H,7,12,15-17H2,(H2,26,27,30)
InChIKeyWBJNRFQBFCICCH-UHFFFAOYSA-N
XLogP4.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 30374011
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
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-6-yl)-2-fluorobenzamide
CID 27557625
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
CID 110303769
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea (CID 30374073) is 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1.
What is the InChIKey of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea?
The InChIKey is WBJNRFQBFCICCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(20-10-5-2-6-11-20)28-17-7-12-21-18-22(13-14-23(21)28)27-25(30)26-16-15-19-8-3-1-4-9-19/h1-6,8-11,13-14,18H,7,12,15-17H2,(H2,26,27,30).
What are the key properties of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea?
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea has a molecular weight of 399.49 g/mol, XLogP of 4.64, 5 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-6-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 30374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).