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

C22H25ClN2O2 — CID 142580334

IUPAC4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
SMILESCC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H25ClN2O2/c1-15(2)12-21(26)25-11-3-4-18-13-16(5-10-20(18)25)14-24-22(27)17-6-8-19(23)9-7-17/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,24,27)
InChIKeyHOWSIGQGDZIPEZ-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.60
Rot. Bonds5

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

4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide (PubChem CID 142580334) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
PubChem CID142580334
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
SMILESCC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H25ClN2O2/c1-15(2)12-21(26)25-11-3-4-18-13-16(5-10-20(18)25)14-24-22(27)17-6-8-19(23)9-7-17/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,24,27)
InChIKeyHOWSIGQGDZIPEZ-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide (CID 142580334) is 4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide is CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The InChIKey is HOWSIGQGDZIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15(2)12-21(26)25-11-3-4-18-13-16(5-10-20(18)25)14-24-22(27)17-6-8-19(23)9-7-17/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of 4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide has a molecular weight of 384.91 g/mol, XLogP of 4.60, 5 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-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide is sourced from PubChem (CID 142580334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).