1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C26H24ClN3O2 — CID 1462413

IUPAC1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cc2cc(CN(Cc3ccccc3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C
InChIInChI=1S/C26H24ClN3O2/c1-17-11-20-13-21(25(31)29-24(20)12-18(17)2)16-30(15-19-7-4-3-5-8-19)26(32)28-23-10-6-9-22(27)14-23/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeySLTGDZVHMNGXJU-UHFFFAOYSA-N
MW445.95 g/mol
LogP6.03
Rot. Bonds5

About 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1462413) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1462413
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cc2cc(CN(Cc3ccccc3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C
InChIInChI=1S/C26H24ClN3O2/c1-17-11-20-13-21(25(31)29-24(20)12-18(17)2)16-30(15-19-7-4-3-5-8-19)26(32)28-23-10-6-9-22(27)14-23/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeySLTGDZVHMNGXJU-UHFFFAOYSA-N
XLogP6.03
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194492
3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 1462403
3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea
CID 1430695
1-[(4-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1462436
3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 1136871
1-benzyl-3-(3-chlorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1140358
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-phenylurea
CID 1462424
3-(3-chlorophenyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1437541
3-(4-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 23824480
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]urea
CID 1462434
3-(2-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 3194489
3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195123

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1462413) is 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1cc2cc(CN(Cc3ccccc3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C.
What is the InChIKey of 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is SLTGDZVHMNGXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-17-11-20-13-21(25(31)29-24(20)12-18(17)2)16-30(15-19-7-4-3-5-8-19)26(32)28-23-10-6-9-22(27)14-23/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 445.95 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1462413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).