1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

C20H21N3O3 — CID 1449396

IUPAC1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C20H21N3O3/c1-14-7-8-18-15(11-14)12-16(19(25)22-18)13-23(9-10-24)20(26)21-17-5-3-2-4-6-17/h2-8,11-12,24H,9-10,13H2,1H3,(H,21,26)(H,22,25)
InChIKeyYUAAZOROYIWQKG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (PubChem CID 1449396) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
PubChem CID1449396
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C20H21N3O3/c1-14-7-8-18-15(11-14)12-16(19(25)22-18)13-23(9-10-24)20(26)21-17-5-3-2-4-6-17/h2-8,11-12,24H,9-10,13H2,1H3,(H,21,26)(H,22,25)
InChIKeyYUAAZOROYIWQKG-UHFFFAOYSA-N
XLogP2.86
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium
CID 7141144
1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 3195113
dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium
CID 7141150
3-(4-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1133612
N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 857219
3-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195124
3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195123
1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195120
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449583
3-(4-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 23824480
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-phenylurea
CID 1462424
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
CID 1430887

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (CID 1449396) is 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The InChIKey is YUAAZOROYIWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-7-8-18-15(11-14)12-16(19(25)22-18)13-23(9-10-24)20(26)21-17-5-3-2-4-6-17/h2-8,11-12,24H,9-10,13H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea has a molecular weight of 351.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 1449396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).