12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one

C19H16N4O — CID 2956586

IUPAC12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESO=C1CCCC2=C1C(c1ccncc1)n1c(nc3ccccc31)N2
InChIInChI=1S/C19H16N4O/c24-16-7-3-5-14-17(16)18(12-8-10-20-11-9-12)23-15-6-2-1-4-13(15)21-19(23)22-14/h1-2,4,6,8-11,18H,3,5,7H2,(H,21,22)
InChIKeyXIJQQDHEMLDADR-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.45
Rot. Bonds1

About 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one

12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 2956586) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
PubChem CID2956586
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESO=C1CCCC2=C1C(c1ccncc1)n1c(nc3ccccc31)N2
InChIInChI=1S/C19H16N4O/c24-16-7-3-5-14-17(16)18(12-8-10-20-11-9-12)23-15-6-2-1-4-13(15)21-19(23)22-14/h1-2,4,6,8-11,18H,3,5,7H2,(H,21,22)
InChIKeyXIJQQDHEMLDADR-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (CID 2956586) is 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is O=C1CCCC2=C1C(c1ccncc1)n1c(nc3ccccc31)N2.
What is the InChIKey of 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is XIJQQDHEMLDADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-16-7-3-5-14-17(16)18(12-8-10-20-11-9-12)23-15-6-2-1-4-13(15)21-19(23)22-14/h1-2,4,6,8-11,18H,3,5,7H2,(H,21,22).
What are the key properties of 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 316.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 2956586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).