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

C25H25N3O4 — CID 30374067

IUPAC1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H25N3O4/c1-31-22-13-11-20(16-23(22)32-2)27-25(30)26-19-10-12-21-18(15-19)9-6-14-28(21)24(29)17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H2,26,27,30)
InChIKeyIROQNXIAQZHIOR-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.94
Rot. Bonds5

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

1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea (PubChem CID 30374067) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
PubChem CID30374067
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H25N3O4/c1-31-22-13-11-20(16-23(22)32-2)27-25(30)26-19-10-12-21-18(15-19)9-6-14-28(21)24(29)17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H2,26,27,30)
InChIKeyIROQNXIAQZHIOR-UHFFFAOYSA-N
XLogP4.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 30374011
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
CID 30374073
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
CID 46389771
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247836
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea (CID 30374067) is 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC.
What is the InChIKey of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is IROQNXIAQZHIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-22-13-11-20(16-23(22)32-2)27-25(30)26-19-10-12-21-18(15-19)9-6-14-28(21)24(29)17-7-4-3-5-8-17/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea?
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 431.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 30374067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).