1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea

C20H21N3O2 — CID 110326210

IUPAC1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
SMILESCc1ccc2cc(CCNC(=O)Nc3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C20H21N3O2/c1-13-8-9-15-12-16(19(24)23-18(15)14(13)2)10-11-21-20(25)22-17-6-4-3-5-7-17/h3-9,12H,10-11H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyRKPJPTRLOYHPFK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea

1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea (PubChem CID 110326210) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
PubChem CID110326210
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
SMILESCc1ccc2cc(CCNC(=O)Nc3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C20H21N3O2/c1-13-8-9-15-12-16(19(24)23-18(15)14(13)2)10-11-21-20(25)22-17-6-4-3-5-7-17/h3-9,12H,10-11H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyRKPJPTRLOYHPFK-UHFFFAOYSA-N
XLogP3.51
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326282
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
1-(4-chlorophenyl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137004
1-(3-bromophenyl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 16814996
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide
CID 110326207
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 7137007
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CID 12006147
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-phenylurea
CID 1462315
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080105
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea (CID 110326210) is 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea is Cc1ccc2cc(CCNC(=O)Nc3ccccc3)c(=O)[nH]c2c1C.
What is the InChIKey of 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea?
The InChIKey is RKPJPTRLOYHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-8-9-15-12-16(19(24)23-18(15)14(13)2)10-11-21-20(25)22-17-6-4-3-5-7-17/h3-9,12H,10-11H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea?
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea has a molecular weight of 335.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 110326210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).