2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide

C18H16N4O2 — CID 53319759

IUPAC2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
SMILESCc1cc(NC(=O)Nc2ccccc2C(N)=O)c2ccccc2n1
InChIInChI=1S/C18H16N4O2/c1-11-10-16(12-6-2-4-8-14(12)20-11)22-18(24)21-15-9-5-3-7-13(15)17(19)23/h2-10H,1H3,(H2,19,23)(H2,20,21,22,24)
InChIKeyVANPLDCXPWOHQL-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.29
Rot. Bonds3

About 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide

2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide (PubChem CID 53319759) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
PubChem CID53319759
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
SMILESCc1cc(NC(=O)Nc2ccccc2C(N)=O)c2ccccc2n1
InChIInChI=1S/C18H16N4O2/c1-11-10-16(12-6-2-4-8-14(12)20-11)22-18(24)21-15-9-5-3-7-13(15)17(19)23/h2-10H,1H3,(H2,19,23)(H2,20,21,22,24)
InChIKeyVANPLDCXPWOHQL-UHFFFAOYSA-N
XLogP3.29
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
CID 22745166
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862
2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
CID 61220010
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
CID 64894250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide?
The IUPAC name of 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide (CID 53319759) is 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide is Cc1cc(NC(=O)Nc2ccccc2C(N)=O)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide?
The InChIKey is VANPLDCXPWOHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-10-16(12-6-2-4-8-14(12)20-11)22-18(24)21-15-9-5-3-7-13(15)17(19)23/h2-10H,1H3,(H2,19,23)(H2,20,21,22,24).
What are the key properties of 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide?
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide has a molecular weight of 320.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide is sourced from PubChem (CID 53319759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).