2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide

C22H22BrN3O2 — CID 97002140

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H22BrN3O2/c1-13(15-7-9-18-16(11-15)8-10-20(27)25-18)24-21(28)12-26-14(2)22(23)17-5-3-4-6-19(17)26/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,24,28)(H,25,27)/t13-/m0/s1
InChIKeyASAZMWFQWOVUEG-ZDUSSCGKSA-N
MW440.34 g/mol
LogP4.47
Rot. Bonds4

About 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide (PubChem CID 97002140) has the molecular formula C22H22BrN3O2 and a molecular weight of 440.34 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
PubChem CID97002140
Molecular FormulaC22H22BrN3O2
Molecular Weight440.34 g/mol
Exact Mass439.09
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H22BrN3O2/c1-13(15-7-9-18-16(11-15)8-10-20(27)25-18)24-21(28)12-26-14(2)22(23)17-5-3-4-6-19(17)26/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,24,28)(H,25,27)/t13-/m0/s1
InChIKeyASAZMWFQWOVUEG-ZDUSSCGKSA-N
XLogP4.47
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 102556137
3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 97007820
2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]propanoic acid
CID 119225645
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
CID 56823797
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
3-(2-fluorophenoxy)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 94078790
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729798

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide (CID 97002140) is 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The InChIKey is ASAZMWFQWOVUEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H22BrN3O2/c1-13(15-7-9-18-16(11-15)8-10-20(27)25-18)24-21(28)12-26-14(2)22(23)17-5-3-4-6-19(17)26/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,24,28)(H,25,27)/t13-/m0/s1.
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide has a molecular weight of 440.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 97002140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).