(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide

C25H22Cl2N2O2 — CID 142580338

IUPAC(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H22Cl2N2O2/c1-16(24(30)28-22-10-8-20(26)9-11-22)17-7-12-23-18(14-17)5-3-13-29(23)25(31)19-4-2-6-21(27)15-19/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,28,30)/t16-/m1/s1
InChIKeyIUNSTNZOVVRSIM-MRXNPFEDSA-N
MW453.37 g/mol
LogP6.33
Rot. Bonds4

About (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide

(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide (PubChem CID 142580338) has the molecular formula C25H22Cl2N2O2 and a molecular weight of 453.37 g/mol. Its IUPAC name is (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide
PubChem CID142580338
Molecular FormulaC25H22Cl2N2O2
Molecular Weight453.37 g/mol
Exact Mass452.11
IUPAC Name(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H22Cl2N2O2/c1-16(24(30)28-22-10-8-20(26)9-11-22)17-7-12-23-18(14-17)5-3-13-29(23)25(31)19-4-2-6-21(27)15-19/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,28,30)/t16-/m1/s1
InChIKeyIUNSTNZOVVRSIM-MRXNPFEDSA-N
XLogP6.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide 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-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248278
1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea
CID 52724176
[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
CID 155093178
1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
1-(3-chlorobenzoyl)-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248264
1-(3-chlorobenzoyl)-N-(4-ethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248236

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide?
The IUPAC name of (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide (CID 142580338) is (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide?
The InChIKey is IUNSTNZOVVRSIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H22Cl2N2O2/c1-16(24(30)28-22-10-8-20(26)9-11-22)17-7-12-23-18(14-17)5-3-13-29(23)25(31)19-4-2-6-21(27)15-19/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,28,30)/t16-/m1/s1.
What are the key properties of (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide?
(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide has a molecular weight of 453.37 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 142580338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).