9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C20H26N4O2 — CID 17456065

IUPAC9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1
InChIInChI=1S/C20H26N4O2/c1-13(2)23-10-7-15(8-11-23)21-19(25)14-5-6-16-17(12-14)22-18-4-3-9-24(18)20(16)26/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,25)
InChIKeyOTGWWPYVEMYLHW-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.95
Rot. Bonds3

About 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 17456065) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID17456065
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1
InChIInChI=1S/C20H26N4O2/c1-13(2)23-10-7-15(8-11-23)21-19(25)14-5-6-16-17(12-14)22-18-4-3-9-24(18)20(16)26/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,25)
InChIKeyOTGWWPYVEMYLHW-UHFFFAOYSA-N
XLogP1.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22550936
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525940
N-[(1S,2S)-2-methylcyclohexyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7598648
N'-(cyclopentanecarbonyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 8873292
N'-butanoyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 154853312
N-(4-acetamidophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26718308
N-[(1R)-1-(4-chlorophenyl)ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 25489652
N-(3-acetylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095690
N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551018
N-[1-(13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46443351
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 33344564
13-oxo-N-(2-propan-2-ylpyrazol-3-yl)-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 30184520

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 17456065) is 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is CC(C)N1CCC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1.
What is the InChIKey of 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is OTGWWPYVEMYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)23-10-7-15(8-11-23)21-19(25)14-5-6-16-17(12-14)22-18-4-3-9-24(18)20(16)26/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,25).
What are the key properties of 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 17456065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).