3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea

C27H27N3O2 — CID 1467470

IUPAC3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea
SMILESCc1cccc2cc(CN(CCc3ccccc3)C(=O)NCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C27H27N3O2/c1-20-9-8-14-23-17-24(26(31)29-25(20)23)19-30(16-15-21-10-4-2-5-11-21)27(32)28-18-22-12-6-3-7-13-22/h2-14,17H,15-16,18-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyDWOIIVRVDLKQLO-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.79
Rot. Bonds7

About 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea

3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea (PubChem CID 1467470) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea
PubChem CID1467470
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea
SMILESCc1cccc2cc(CN(CCc3ccccc3)C(=O)NCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C27H27N3O2/c1-20-9-8-14-23-17-24(26(31)29-25(20)23)19-30(16-15-21-10-4-2-5-11-21)27(32)28-18-22-12-6-3-7-13-22/h2-14,17H,15-16,18-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyDWOIIVRVDLKQLO-UHFFFAOYSA-N
XLogP4.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-[2-(dimethylamino)ethyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194351
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 855659
3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 1467483
2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
CID 7141091
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 1462381
3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 1430672
3-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 651336
3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 3169853
3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
CID 3194385
3-(2-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea
CID 3194445
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
CID 1453861
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea?
The IUPAC name of 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea (CID 1467470) is 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea?
The canonical SMILES for 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea is Cc1cccc2cc(CN(CCc3ccccc3)C(=O)NCc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea?
The InChIKey is DWOIIVRVDLKQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-20-9-8-14-23-17-24(26(31)29-25(20)23)19-30(16-15-21-10-4-2-5-11-21)27(32)28-18-22-12-6-3-7-13-22/h2-14,17H,15-16,18-19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea?
3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea has a molecular weight of 425.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea is sourced from PubChem (CID 1467470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).