3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide

C18H16N4O2 — CID 53323752

IUPAC3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
SMILESCc1cc(NC(=O)Nc2cccc(C(N)=O)c2)c2ccccc2n1
InChIInChI=1S/C18H16N4O2/c1-11-9-16(14-7-2-3-8-15(14)20-11)22-18(24)21-13-6-4-5-12(10-13)17(19)23/h2-10H,1H3,(H2,19,23)(H2,20,21,22,24)
InChIKeyHOGOVQALELNQCV-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.29
Rot. Bonds3

About 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide

3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide (PubChem CID 53323752) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide.

Molecular Properties

Compound Name3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
PubChem CID53323752
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
SMILESCc1cc(NC(=O)Nc2cccc(C(N)=O)c2)c2ccccc2n1
InChIInChI=1S/C18H16N4O2/c1-11-9-16(14-7-2-3-8-15(14)20-11)22-18(24)21-13-6-4-5-12(10-13)17(19)23/h2-10H,1H3,(H2,19,23)(H2,20,21,22,24)
InChIKeyHOGOVQALELNQCV-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide?
The IUPAC name of 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide (CID 53323752) is 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide.
What is the SMILES notation for 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide?
The canonical SMILES for 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide is Cc1cc(NC(=O)Nc2cccc(C(N)=O)c2)c2ccccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide?
The InChIKey is HOGOVQALELNQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-9-16(14-7-2-3-8-15(14)20-11)22-18(24)21-13-6-4-5-12(10-13)17(19)23/h2-10H,1H3,(H2,19,23)(H2,20,21,22,24).
What are the key properties of 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide?
3-[(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 3-[(2-methylquinolin-4-yl)carbamoylamino]benzamide is sourced from PubChem (CID 53323752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).