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

C21H23ClN2O2 — CID 94086775

IUPACN-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c1-3-14(2)23-20(25)16-9-10-19-15(12-16)7-5-11-24(19)21(26)17-6-4-8-18(22)13-17/h4,6,8-10,12-14H,3,5,7,11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyWSBAETLWXVUBQR-CQSZACIVSA-N
MW370.88 g/mol
LogP4.46
Rot. Bonds4

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

N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 94086775) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID94086775
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c1-3-14(2)23-20(25)16-9-10-19-15(12-16)7-5-11-24(19)21(26)17-6-4-8-18(22)13-17/h4,6,8-10,12-14H,3,5,7,11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyWSBAETLWXVUBQR-CQSZACIVSA-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

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Related Compounds

N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086764
1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
CID 155093178
(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide
CID 142580338
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 132664986
1-(3-chlorobenzoyl)-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248264
3-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580111
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 94086775) is N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide is CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is WSBAETLWXVUBQR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-14(2)23-20(25)16-9-10-19-15(12-16)7-5-11-24(19)21(26)17-6-4-8-18(22)13-17/h4,6,8-10,12-14H,3,5,7,11H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[(2R)-butan-2-yl]-1-(3-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-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 94086775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).