1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide

C12H13N3O — CID 140571827

IUPAC1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)=NCN1CCCC=21
InChIInChI=1S/C12H13N3O/c13-12(16)8-3-4-9-10(6-8)14-7-15-5-1-2-11(9)15/h3-4,6H,1-2,5,7H2,(H2,13,16)
InChIKeyIRNLIEYHPJNKNB-UHFFFAOYSA-N
MW215.26 g/mol
LogP-0.42
Rot. Bonds1

About 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide

1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide (PubChem CID 140571827) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide.

Molecular Properties

Compound Name1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide
PubChem CID140571827
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)=NCN1CCCC=21
InChIInChI=1S/C12H13N3O/c13-12(16)8-3-4-9-10(6-8)14-7-15-5-1-2-11(9)15/h3-4,6H,1-2,5,7H2,(H2,13,16)
InChIKeyIRNLIEYHPJNKNB-UHFFFAOYSA-N
XLogP-0.42
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide?
The IUPAC name of 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide (CID 140571827) is 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide.
What is the SMILES notation for 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide?
The canonical SMILES for 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide is NC(=O)c1ccc2c(c1)=NCN1CCCC=21.
What is the InChIKey of 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide?
The InChIKey is IRNLIEYHPJNKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(16)8-3-4-9-10(6-8)14-7-15-5-1-2-11(9)15/h3-4,6H,1-2,5,7H2,(H2,13,16).
What are the key properties of 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide?
1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide has a molecular weight of 215.26 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydropyrrolo[1,2-c]quinazoline-8-carboxamide is sourced from PubChem (CID 140571827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).