N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide

C25H24ClN3O2 — CID 57135530

IUPACN-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
SMILESCNC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C25H24ClN3O2/c1-16-5-3-4-6-20(16)24(30)28-19-10-7-17(8-11-19)25(31)29-14-13-22(27-2)21-15-18(26)9-12-23(21)29/h3-12,15,22,27H,13-14H2,1-2H3,(H,28,30)
InChIKeyJPESYPHEFFISOY-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.21
Rot. Bonds4

About N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide

N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide (PubChem CID 57135530) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
PubChem CID57135530
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
SMILESCNC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C25H24ClN3O2/c1-16-5-3-4-6-20(16)24(30)28-19-10-7-17(8-11-19)25(31)29-14-13-22(27-2)21-15-18(26)9-12-23(21)29/h3-12,15,22,27H,13-14H2,1-2H3,(H,28,30)
InChIKeyJPESYPHEFFISOY-UHFFFAOYSA-N
XLogP5.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide (CID 57135530) is N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide is CNC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc21.
What is the InChIKey of N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide?
The InChIKey is JPESYPHEFFISOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-16-5-3-4-6-20(16)24(30)28-19-10-7-17(8-11-19)25(31)29-14-13-22(27-2)21-15-18(26)9-12-23(21)29/h3-12,15,22,27H,13-14H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide?
N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide has a molecular weight of 433.94 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 57135530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).