1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea

C26H27N3O3 — CID 30374011

IUPAC1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-32-23-12-9-19(10-13-23)15-16-27-26(31)28-22-11-14-24-21(18-22)8-5-17-29(24)25(30)20-6-3-2-4-7-20/h2-4,6-7,9-14,18H,5,8,15-17H2,1H3,(H2,27,28,31)
InChIKeyAHFAPVCAYFNGSA-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.65
Rot. Bonds6

About 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 30374011) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID30374011
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-32-23-12-9-19(10-13-23)15-16-27-26(31)28-22-11-14-24-21(18-22)8-5-17-29(24)25(30)20-6-3-2-4-7-20/h2-4,6-7,9-14,18H,5,8,15-17H2,1H3,(H2,27,28,31)
InChIKeyAHFAPVCAYFNGSA-UHFFFAOYSA-N
XLogP4.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-methoxyphenyl)ethanesulfonamide
CID 42064977
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
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)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
CID 46384438

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 30374011) is 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is AHFAPVCAYFNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-32-23-12-9-19(10-13-23)15-16-27-26(31)28-22-11-14-24-21(18-22)8-5-17-29(24)25(30)20-6-3-2-4-7-20/h2-4,6-7,9-14,18H,5,8,15-17H2,1H3,(H2,27,28,31).
What are the key properties of 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 429.52 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 30374011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).