1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea

C19H19N3O — CID 51945829

IUPAC1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
SMILESCc1ccc(NC(=O)N[C@@H](C)c2ccccc2)c2cccnc12
InChIInChI=1S/C19H19N3O/c1-13-10-11-17(16-9-6-12-20-18(13)16)22-19(23)21-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyORVJZBJAQICRDA-AWEZNQCLSA-N
MW305.38 g/mol
LogP4.43
Rot. Bonds3

About 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea

1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea (PubChem CID 51945829) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
PubChem CID51945829
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
SMILESCc1ccc(NC(=O)N[C@@H](C)c2ccccc2)c2cccnc12
InChIInChI=1S/C19H19N3O/c1-13-10-11-17(16-9-6-12-20-18(13)16)22-19(23)21-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyORVJZBJAQICRDA-AWEZNQCLSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-hydroxyquinolin-7-yl)-3-[(1S)-1-phenylethyl]urea
CID 101117639
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597
(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide
CID 94669801
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
CID 68530343
3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
CID 62837223
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 38950691
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea (CID 51945829) is 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea is Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2)c2cccnc12.
What is the InChIKey of 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea?
The InChIKey is ORVJZBJAQICRDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-10-11-17(16-9-6-12-20-18(13)16)22-19(23)21-14(2)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H2,21,22,23)/t14-/m0/s1.
What are the key properties of 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea?
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea has a molecular weight of 305.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 51945829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).