4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide

C19H21N3O3 — CID 51083118

IUPAC4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H21N3O3/c1-13(23)15-11-16(21-12-15)19(25)20-9-8-18(24)22-10-4-6-14-5-2-3-7-17(14)22/h2-3,5,7,11-12,21H,4,6,8-10H2,1H3,(H,20,25)
InChIKeyWLCUUPQINOYUCC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.32
Rot. Bonds5

About 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide (PubChem CID 51083118) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide
PubChem CID51083118
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H21N3O3/c1-13(23)15-11-16(21-12-15)19(25)20-9-8-18(24)22-10-4-6-14-5-2-3-7-17(14)22/h2-3,5,7,11-12,21H,4,6,8-10H2,1H3,(H,20,25)
InChIKeyWLCUUPQINOYUCC-UHFFFAOYSA-N
XLogP2.32
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 71891299
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide (CID 51083118) is 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WLCUUPQINOYUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(23)15-11-16(21-12-15)19(25)20-9-8-18(24)22-10-4-6-14-5-2-3-7-17(14)22/h2-3,5,7,11-12,21H,4,6,8-10H2,1H3,(H,20,25).
What are the key properties of 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51083118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).