4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide

C25H23ClN2O2 — CID 142580537

IUPAC4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
SMILESCc1cccc(C(=O)N2CCCc3cc(CNC(=O)c4ccc(Cl)cc4)ccc32)c1
InChIInChI=1S/C25H23ClN2O2/c1-17-4-2-5-21(14-17)25(30)28-13-3-6-20-15-18(7-12-23(20)28)16-27-24(29)19-8-10-22(26)11-9-19/h2,4-5,7-12,14-15H,3,6,13,16H2,1H3,(H,27,29)
InChIKeySKYFHZWBEXYKHH-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.17
Rot. Bonds4

About 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide

4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide (PubChem CID 142580537) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
PubChem CID142580537
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
SMILESCc1cccc(C(=O)N2CCCc3cc(CNC(=O)c4ccc(Cl)cc4)ccc32)c1
InChIInChI=1S/C25H23ClN2O2/c1-17-4-2-5-21(14-17)25(30)28-13-3-6-20-15-18(7-12-23(20)28)16-27-24(29)19-8-10-22(26)11-9-19/h2,4-5,7-12,14-15H,3,6,13,16H2,1H3,(H,27,29)
InChIKeySKYFHZWBEXYKHH-UHFFFAOYSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide with MolForge

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
CID 109046889
[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
CID 155093178
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
3-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580111
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086752
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765297
1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099726
5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide
CID 53099329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide (CID 142580537) is 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide is Cc1cccc(C(=O)N2CCCc3cc(CNC(=O)c4ccc(Cl)cc4)ccc32)c1.
What is the InChIKey of 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The InChIKey is SKYFHZWBEXYKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-17-4-2-5-21(14-17)25(30)28-13-3-6-20-15-18(7-12-23(20)28)16-27-24(29)19-8-10-22(26)11-9-19/h2,4-5,7-12,14-15H,3,6,13,16H2,1H3,(H,27,29).
What are the key properties of 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide has a molecular weight of 418.92 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide is sourced from PubChem (CID 142580537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).