N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide

C21H20N4O3 — CID 44569448

IUPACN-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
SMILESCC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3ccc(C(C)=O)cc3)cc12
InChIInChI=1S/C21H20N4O3/c1-12-10-20(23-14(3)27)18-11-17(8-9-19(18)22-12)25-21(28)24-16-6-4-15(5-7-16)13(2)26/h4-11H,1-3H3,(H,22,23,27)(H2,24,25,28)
InChIKeyRCEDUBKHKVJXMU-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.35
Rot. Bonds4

About N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide

N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide (PubChem CID 44569448) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
PubChem CID44569448
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
SMILESCC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3ccc(C(C)=O)cc3)cc12
InChIInChI=1S/C21H20N4O3/c1-12-10-20(23-14(3)27)18-11-17(8-9-19(18)22-12)25-21(28)24-16-6-4-15(5-7-16)13(2)26/h4-11H,1-3H3,(H,22,23,27)(H2,24,25,28)
InChIKeyRCEDUBKHKVJXMU-UHFFFAOYSA-N
XLogP4.35
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide?
The IUPAC name of N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide (CID 44569448) is N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide?
The canonical SMILES for N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide is CC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3ccc(C(C)=O)cc3)cc12.
What is the InChIKey of N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide?
The InChIKey is RCEDUBKHKVJXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-10-20(23-14(3)27)18-11-17(8-9-19(18)22-12)25-21(28)24-16-6-4-15(5-7-16)13(2)26/h4-11H,1-3H3,(H,22,23,27)(H2,24,25,28).
What are the key properties of N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide?
N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-acetylphenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide is sourced from PubChem (CID 44569448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).