2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide

C24H17Cl2FN4O2 — CID 44569798

IUPAC2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc2n1
InChIInChI=1S/C24H17Cl2FN4O2/c1-13-10-22(31-23(32)16-4-2-3-5-18(16)25)17-11-14(7-9-21(17)28-13)29-24(33)30-15-6-8-20(27)19(26)12-15/h2-12H,1H3,(H,28,31,32)(H2,29,30,33)
InChIKeyNJFOLHFLAYZLFO-UHFFFAOYSA-N
MW483.33 g/mol
LogP6.89
Rot. Bonds4

About 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide

2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide (PubChem CID 44569798) has the molecular formula C24H17Cl2FN4O2 and a molecular weight of 483.33 g/mol. Its IUPAC name is 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
PubChem CID44569798
Molecular FormulaC24H17Cl2FN4O2
Molecular Weight483.33 g/mol
Exact Mass482.07
IUPAC Name2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc2n1
InChIInChI=1S/C24H17Cl2FN4O2/c1-13-10-22(31-23(32)16-4-2-3-5-18(16)25)17-11-14(7-9-21(17)28-13)29-24(33)30-15-6-8-20(27)19(26)12-15/h2-12H,1H3,(H,28,31,32)(H2,29,30,33)
InChIKeyNJFOLHFLAYZLFO-UHFFFAOYSA-N
XLogP6.89
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.33
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
CID 44569374
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
N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
CID 44569659
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide (CID 44569798) is 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide is Cc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc2n1.
What is the InChIKey of 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide?
The InChIKey is NJFOLHFLAYZLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN4O2/c1-13-10-22(31-23(32)16-4-2-3-5-18(16)25)17-11-14(7-9-21(17)28-13)29-24(33)30-15-6-8-20(27)19(26)12-15/h2-12H,1H3,(H,28,31,32)(H2,29,30,33).
What are the key properties of 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide?
2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide has a molecular weight of 483.33 g/mol, XLogP of 6.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide is sourced from PubChem (CID 44569798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).