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

C23H19ClN2O2 — CID 10548464

IUPAC3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H19ClN2O2/c24-19-8-3-6-18(15-19)22(27)25-20-12-10-17(11-13-20)23(28)26-14-4-7-16-5-1-2-9-21(16)26/h1-3,5-6,8-13,15H,4,7,14H2,(H,25,27)
InChIKeyDTCHNWYQYUTVHL-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.19
Rot. Bonds3

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

3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (PubChem CID 10548464) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
PubChem CID10548464
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H19ClN2O2/c24-19-8-3-6-18(15-19)22(27)25-20-12-10-17(11-13-20)23(28)26-14-4-7-16-5-1-2-9-21(16)26/h1-3,5-6,8-13,15H,4,7,14H2,(H,25,27)
InChIKeyDTCHNWYQYUTVHL-UHFFFAOYSA-N
XLogP5.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (CID 10548464) is 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The InChIKey is DTCHNWYQYUTVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-19-8-3-6-18(15-19)22(27)25-20-12-10-17(11-13-20)23(28)26-14-4-7-16-5-1-2-9-21(16)26/h1-3,5-6,8-13,15H,4,7,14H2,(H,25,27).
What are the key properties of 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide has a molecular weight of 390.87 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 10548464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).