9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C22H22N4O3 — CID 24983070

IUPAC9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C22H22N4O3/c1-2-11-23-21(28)15-6-3-4-7-17(15)25-20(27)14-9-10-16-18(13-14)24-19-8-5-12-26(19)22(16)29/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3,(H,23,28)(H,25,27)
InChIKeyVPQHZQYNZNLYIG-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.73
Rot. Bonds5

About 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 24983070) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID24983070
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C22H22N4O3/c1-2-11-23-21(28)15-6-3-4-7-17(15)25-20(27)14-9-10-16-18(13-14)24-19-8-5-12-26(19)22(16)29/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3,(H,23,28)(H,25,27)
InChIKeyVPQHZQYNZNLYIG-UHFFFAOYSA-N
XLogP2.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 24983070) is 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is VPQHZQYNZNLYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-11-23-21(28)15-6-3-4-7-17(15)25-20(27)14-9-10-16-18(13-14)24-19-8-5-12-26(19)22(16)29/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-[2-(propylcarbamoyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 24983070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).