(5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone

C28H27ClN2O2 — CID 58732700

IUPAC(5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone
SMILESCCc1ccc(C(=O)N2c3ccccc3[C@@H](C(=O)N3CCc4cc(Cl)ccc43)C[C@@H]2C)cc1
InChIInChI=1S/C28H27ClN2O2/c1-3-19-8-10-20(11-9-19)27(32)31-18(2)16-24(23-6-4-5-7-26(23)31)28(33)30-15-14-21-17-22(29)12-13-25(21)30/h4-13,17-18,24H,3,14-16H2,1-2H3/t18-,24-/m0/s1
InChIKeyJPFOTHUQBFIECC-UUOWRZLLSA-N
MW458.99 g/mol
LogP6.01
Rot. Bonds3

About (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone

(5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone (PubChem CID 58732700) has the molecular formula C28H27ClN2O2 and a molecular weight of 458.99 g/mol. Its IUPAC name is (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone
PubChem CID58732700
Molecular FormulaC28H27ClN2O2
Molecular Weight458.99 g/mol
Exact Mass458.18
IUPAC Name(5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone
SMILESCCc1ccc(C(=O)N2c3ccccc3[C@@H](C(=O)N3CCc4cc(Cl)ccc43)C[C@@H]2C)cc1
InChIInChI=1S/C28H27ClN2O2/c1-3-19-8-10-20(11-9-19)27(32)31-18(2)16-24(23-6-4-5-7-26(23)31)28(33)30-15-14-21-17-22(29)12-13-25(21)30/h4-13,17-18,24H,3,14-16H2,1-2H3/t18-,24-/m0/s1
InChIKeyJPFOTHUQBFIECC-UUOWRZLLSA-N
XLogP6.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone with MolForge

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Related Compounds

(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732818
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
5-chloro-1-[(2S,4R)-2-methyl-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-3H-indol-2-one
CID 58859925
1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401406
(2R,4R)-N-(4-chlorophenyl)-N-ethyl-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165711
N-(4-chlorophenyl)-N-ethyl-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165820
N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
CID 69466487
2-[2-[4-[(2S,4S)-4-[(4-chlorophenyl)-ethylcarbamoyl]-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]ethoxy]-2-methylpropanoic acid
CID 58732779
3-chloro-N-[(2S,4R)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-1-benzothiophene-2-carboxamide
CID 124544066
N-(4-chlorophenyl)-N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165901
2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401928
[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 69402619

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone?
The IUPAC name of (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone (CID 58732700) is (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone.
What is the SMILES notation for (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone?
The canonical SMILES for (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone is CCc1ccc(C(=O)N2c3ccccc3[C@@H](C(=O)N3CCc4cc(Cl)ccc43)C[C@@H]2C)cc1.
What is the InChIKey of (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone?
The InChIKey is JPFOTHUQBFIECC-UUOWRZLLSA-N. The full InChI is InChI=1S/C28H27ClN2O2/c1-3-19-8-10-20(11-9-19)27(32)31-18(2)16-24(23-6-4-5-7-26(23)31)28(33)30-15-14-21-17-22(29)12-13-25(21)30/h4-13,17-18,24H,3,14-16H2,1-2H3/t18-,24-/m0/s1.
What are the key properties of (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone?
(5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone has a molecular weight of 458.99 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydroindol-1-yl)-[(2S,4S)-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]methanone is sourced from PubChem (CID 58732700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).