N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide

C21H23ClN2O2 — CID 94086764

IUPACN-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-14(2)23-20(25)17-8-11-19-16(13-17)5-4-12-24(19)21(26)15-6-9-18(22)10-7-15/h6-11,13-14H,3-5,12H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyXGKAOTBCKGYENX-AWEZNQCLSA-N
MW370.88 g/mol
LogP4.46
Rot. Bonds4

About N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide

N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 94086764) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID94086764
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-14(2)23-20(25)17-8-11-19-16(13-17)5-4-12-24(19)21(26)15-6-9-18(22)10-7-15/h6-11,13-14H,3-5,12H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyXGKAOTBCKGYENX-AWEZNQCLSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086775
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 112762141
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
1-(4-chlorobenzoyl)-N-(2-ethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248009
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580537

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 94086764) is N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide is CC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is XGKAOTBCKGYENX-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-14(2)23-20(25)17-8-11-19-16(13-17)5-4-12-24(19)21(26)15-6-9-18(22)10-7-15/h6-11,13-14H,3-5,12H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 94086764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).