1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea

C18H17N3O3 — CID 16645779

IUPAC1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
SMILESCOc1cc(NC(=O)Nc2cnc3ccccc3c2)cc(OC)c1
InChIInChI=1S/C18H17N3O3/c1-23-15-8-13(9-16(10-15)24-2)20-18(22)21-14-7-12-5-3-4-6-17(12)19-11-14/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyPMKIWFWGIOWDCC-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.90
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea

1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea (PubChem CID 16645779) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
PubChem CID16645779
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
SMILESCOc1cc(NC(=O)Nc2cnc3ccccc3c2)cc(OC)c1
InChIInChI=1S/C18H17N3O3/c1-23-15-8-13(9-16(10-15)24-2)20-18(22)21-14-7-12-5-3-4-6-17(12)19-11-14/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyPMKIWFWGIOWDCC-UHFFFAOYSA-N
XLogP3.90
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
methyl N-quinolin-3-ylcarbamate
CID 19697860
1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
CID 140892825
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
1-quinolin-3-yl-3-(1,3-thiazol-2-yl)urea
CID 47149919
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
(6-methoxyquinolin-3-yl)carbamic acid
CID 22326813
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
(2S)-2-[(3-methoxyphenyl)methoxy]-N-quinolin-3-ylpropanamide
CID 38938953

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea (CID 16645779) is 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea is COc1cc(NC(=O)Nc2cnc3ccccc3c2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea?
The InChIKey is PMKIWFWGIOWDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-8-13(9-16(10-15)24-2)20-18(22)21-14-7-12-5-3-4-6-17(12)19-11-14/h3-11H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea?
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea has a molecular weight of 323.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea is sourced from PubChem (CID 16645779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).