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

C19H17ClN4O2 — CID 44569374

IUPACN-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
SMILESCC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12
InChIInChI=1S/C19H17ClN4O2/c1-11-9-18(22-12(2)25)16-10-15(7-8-17(16)21-11)24-19(26)23-14-5-3-13(20)4-6-14/h3-10H,1-2H3,(H,21,22,25)(H2,23,24,26)
InChIKeySCSCVZBHBZKQKO-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.80
Rot. Bonds3

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

N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide (PubChem CID 44569374) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
PubChem CID44569374
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
SMILESCC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12
InChIInChI=1S/C19H17ClN4O2/c1-11-9-18(22-12(2)25)16-10-15(7-8-17(16)21-11)24-19(26)23-14-5-3-13(20)4-6-14/h3-10H,1-2H3,(H,21,22,25)(H2,23,24,26)
InChIKeySCSCVZBHBZKQKO-UHFFFAOYSA-N
XLogP4.80
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
CID 44569798
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea
CID 46385135
N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
CID 44569723
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964
N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
CID 44569659
1-(4-amino-2-methylquinolin-6-yl)-3-(4-propan-2-ylphenyl)urea
CID 73055604
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
1-[4-[bis(2-chloroethyl)amino]phenyl]-3-[4-(4-fluoroanilino)-2-methylquinolin-6-yl]urea
CID 90682611
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide?
The IUPAC name of N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide (CID 44569374) is N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide is CC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide?
The InChIKey is SCSCVZBHBZKQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11-9-18(22-12(2)25)16-10-15(7-8-17(16)21-11)24-19(26)23-14-5-3-13(20)4-6-14/h3-10H,1-2H3,(H,21,22,25)(H2,23,24,26).
What are the key properties of N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide?
N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide has a molecular weight of 368.82 g/mol, XLogP of 4.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide is sourced from PubChem (CID 44569374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).