4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C21H25N3O3 — CID 71891299

IUPAC4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C21H25N3O3/c1-13-19(15(3)25)14(2)23-20(13)21(27)22-11-10-18(26)24-12-6-8-16-7-4-5-9-17(16)24/h4-5,7,9,23H,6,8,10-12H2,1-3H3,(H,22,27)
InChIKeyBNNZWWUCHQKKNU-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.93
Rot. Bonds5

About 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 71891299) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID71891299
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C21H25N3O3/c1-13-19(15(3)25)14(2)23-20(13)21(27)22-11-10-18(26)24-12-6-8-16-7-4-5-9-17(16)24/h4-5,7,9,23H,6,8,10-12H2,1-3H3,(H,22,27)
InChIKeyBNNZWWUCHQKKNU-UHFFFAOYSA-N
XLogP2.93
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 51083118
4-acetyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 17424328
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71937420
ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034988
4-acetyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46414503
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023365
3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 53125829

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 71891299) is 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is BNNZWWUCHQKKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-19(15(3)25)14(2)23-20(13)21(27)22-11-10-18(26)24-12-6-8-16-7-4-5-9-17(16)24/h4-5,7,9,23H,6,8,10-12H2,1-3H3,(H,22,27).
What are the key properties of 4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.93, 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]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71891299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).