9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C17H14N4O2 — CID 24979832

IUPAC9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C17H14N4O2/c22-16(20-14-4-1-2-8-18-14)11-6-7-12-13(10-11)19-15-5-3-9-21(15)17(12)23/h1-2,4,6-8,10H,3,5,9H2,(H,18,20,22)
InChIKeyRLKDGJDDFZSBNE-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.99
Rot. Bonds2

About 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 24979832) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID24979832
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C17H14N4O2/c22-16(20-14-4-1-2-8-18-14)11-6-7-12-13(10-11)19-15-5-3-9-21(15)17(12)23/h1-2,4,6-8,10H,3,5,9H2,(H,18,20,22)
InChIKeyRLKDGJDDFZSBNE-UHFFFAOYSA-N
XLogP1.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 24979832) is 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is O=C(Nc1ccccn1)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is RLKDGJDDFZSBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16(20-14-4-1-2-8-18-14)11-6-7-12-13(10-11)19-15-5-3-9-21(15)17(12)23/h1-2,4,6-8,10H,3,5,9H2,(H,18,20,22).
What are the key properties of 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-pyridin-2-yl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 24979832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).