2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide

C24H17Cl2FN4O2 — CID 67599494

IUPAC2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C24H17Cl2FN4O2/c1-13-12-28-22-16(21(13)31-24(33)29-15-6-2-5-14(27)11-15)7-3-10-19(22)30-23(32)20-17(25)8-4-9-18(20)26/h2-12H,1H3,(H,30,32)(H2,28,29,31,33)
InChIKeyKYJLZAFDWRIFJL-UHFFFAOYSA-N
MW483.33 g/mol
LogP6.89
Rot. Bonds4

About 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide

2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide (PubChem CID 67599494) has the molecular formula C24H17Cl2FN4O2 and a molecular weight of 483.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide
PubChem CID67599494
Molecular FormulaC24H17Cl2FN4O2
Molecular Weight483.33 g/mol
Exact Mass482.07
IUPAC Name2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C24H17Cl2FN4O2/c1-13-12-28-22-16(21(13)31-24(33)29-15-6-2-5-14(27)11-15)7-3-10-19(22)30-23(32)20-17(25)8-4-9-18(20)26/h2-12H,1H3,(H,30,32)(H2,28,29,31,33)
InChIKeyKYJLZAFDWRIFJL-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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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide (CID 67599494) is 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide is Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide?
The InChIKey is KYJLZAFDWRIFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN4O2/c1-13-12-28-22-16(21(13)31-24(33)29-15-6-2-5-14(27)11-15)7-3-10-19(22)30-23(32)20-17(25)8-4-9-18(20)26/h2-12H,1H3,(H,30,32)(H2,28,29,31,33).
What are the key properties of 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide?
2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-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 2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide is sourced from PubChem (CID 67599494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).