1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea

C19H19N3O4 — CID 1075620

IUPAC1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-15-10-13(11-16(25-2)18(15)26-3)21-19(23)22-14-8-4-6-12-7-5-9-20-17(12)14/h4-11H,1-3H3,(H2,21,22,23)
InChIKeySADRTCHECJCCII-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.90
Rot. Bonds5

About 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea

1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 1075620) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID1075620
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-15-10-13(11-16(25-2)18(15)26-3)21-19(23)22-14-8-4-6-12-7-5-9-20-17(12)14/h4-11H,1-3H3,(H2,21,22,23)
InChIKeySADRTCHECJCCII-UHFFFAOYSA-N
XLogP3.90
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
Sgc-gak-1
CID 134812846
1-Imidazolidinecarboxamide, N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenyl-
CID 23652906
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
4-[(3,5-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330472
Benzyl-(6,7-dimethoxy-quinolin-3-yl)-amine
CID 10424517
N-(3-{5-[(3,4,5-trimethoxyphenyl)amino]pyridin-3-yl}phenyl)acetamide
CID 11574718
6,7-Dimethoxy-4-(3-methoxyphenoxy)quinoline
CID 22132666
4-[(3,4,5-Trimethoxyphenyl)amino]quinoline-7-carbonitrile
CID 155563824
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(3-methylphenyl)urea
CID 11212549
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 11213588
1-[4-(6,7-Dimethoxy-quinolin-4-yloxy)-phenyl]-3-(2-methoxy-phenyl)-urea
CID 11224592

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea (CID 1075620) is 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cccc3cccnc23)cc(OC)c1OC.
What is the InChIKey of 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is SADRTCHECJCCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-15-10-13(11-16(25-2)18(15)26-3)21-19(23)22-14-8-4-6-12-7-5-9-20-17(12)14/h4-11H,1-3H3,(H2,21,22,23).
What are the key properties of 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea?
1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 353.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 1075620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).