2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide

C23H25N5O2 — CID 169411713

IUPAC2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
SMILESCc1cc2c(cc1NC(=O)CN(C)C)NC(=O)CC2c1cccn1-c1cccnc1
InChIInChI=1S/C23H25N5O2/c1-15-10-17-18(21-7-5-9-28(21)16-6-4-8-24-13-16)11-22(29)26-20(17)12-19(15)25-23(30)14-27(2)3/h4-10,12-13,18H,11,14H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyPLQKUPQNBNCHJR-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.15
Rot. Bonds5

About 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide

2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide (PubChem CID 169411713) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
PubChem CID169411713
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
SMILESCc1cc2c(cc1NC(=O)CN(C)C)NC(=O)CC2c1cccn1-c1cccnc1
InChIInChI=1S/C23H25N5O2/c1-15-10-17-18(21-7-5-9-28(21)16-6-4-8-24-13-16)11-22(29)26-20(17)12-19(15)25-23(30)14-27(2)3/h4-10,12-13,18H,11,14H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyPLQKUPQNBNCHJR-UHFFFAOYSA-N
XLogP3.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide
CID 95123950
2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169414742
3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide
CID 50966036
N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 171912632
N-[2-methyl-4-[(4R,5S)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100553777
2-methoxy-N-[(4S)-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 95127704
7-hydroxy-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958514
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
CID 95122424
(4R)-7-hydroxy-4-[1-(4-methoxyphenyl)imidazol-2-yl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95120058
7-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42647913
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide (CID 169411713) is 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide is Cc1cc2c(cc1NC(=O)CN(C)C)NC(=O)CC2c1cccn1-c1cccnc1.
What is the InChIKey of 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide?
The InChIKey is PLQKUPQNBNCHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-10-17-18(21-7-5-9-28(21)16-6-4-8-24-13-16)11-22(29)26-20(17)12-19(15)25-23(30)14-27(2)3/h4-10,12-13,18H,11,14H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide?
2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide is sourced from PubChem (CID 169411713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).