1-methyl-1-phenyl-3-quinolin-3-ylurea

C17H15N3O — CID 886905

IUPAC1-methyl-1-phenyl-3-quinolin-3-ylurea
SMILESCN(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-20(15-8-3-2-4-9-15)17(21)19-14-11-13-7-5-6-10-16(13)18-12-14/h2-12H,1H3,(H,19,21)
InChIKeyCSBBWJJUPRFEGG-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.90
Rot. Bonds2

About 1-methyl-1-phenyl-3-quinolin-3-ylurea

1-methyl-1-phenyl-3-quinolin-3-ylurea (PubChem CID 886905) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-methyl-1-phenyl-3-quinolin-3-ylurea.

Molecular Properties

Compound Name1-methyl-1-phenyl-3-quinolin-3-ylurea
PubChem CID886905
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-methyl-1-phenyl-3-quinolin-3-ylurea
SMILESCN(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-20(15-8-3-2-4-9-15)17(21)19-14-11-13-7-5-6-10-16(13)18-12-14/h2-12H,1H3,(H,19,21)
InChIKeyCSBBWJJUPRFEGG-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
CID 55115598
methyl N-quinolin-3-ylcarbamate
CID 19697860
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340396
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
3-(2-chloro-4-pyridinyl)-1-methyl-1-phenylurea
CID 134114152
2-(dimethylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 38938974
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-3-quinolin-3-ylurea?
The IUPAC name of 1-methyl-1-phenyl-3-quinolin-3-ylurea (CID 886905) is 1-methyl-1-phenyl-3-quinolin-3-ylurea.
What is the SMILES notation for 1-methyl-1-phenyl-3-quinolin-3-ylurea?
The canonical SMILES for 1-methyl-1-phenyl-3-quinolin-3-ylurea is CN(C(=O)Nc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-methyl-1-phenyl-3-quinolin-3-ylurea?
The InChIKey is CSBBWJJUPRFEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20(15-8-3-2-4-9-15)17(21)19-14-11-13-7-5-6-10-16(13)18-12-14/h2-12H,1H3,(H,19,21).
What are the key properties of 1-methyl-1-phenyl-3-quinolin-3-ylurea?
1-methyl-1-phenyl-3-quinolin-3-ylurea has a molecular weight of 277.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-3-quinolin-3-ylurea is sourced from PubChem (CID 886905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).