(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one

C18H19N3O — CID 51454335

IUPAC(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccncc2)N1C1CCCC1
InChIInChI=1S/C18H19N3O/c22-18-15-7-3-4-8-16(15)20-17(13-9-11-19-12-10-13)21(18)14-5-1-2-6-14/h3-4,7-12,14,17,20H,1-2,5-6H2/t17-/m1/s1
InChIKeyWEBKYKQXCBCEGI-QGZVFWFLSA-N
MW293.37 g/mol
LogP3.59
Rot. Bonds2

About (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one

(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (PubChem CID 51454335) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
PubChem CID51454335
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccncc2)N1C1CCCC1
InChIInChI=1S/C18H19N3O/c22-18-15-7-3-4-8-16(15)20-17(13-9-11-19-12-10-13)21(18)14-5-1-2-6-14/h3-4,7-12,14,17,20H,1-2,5-6H2/t17-/m1/s1
InChIKeyWEBKYKQXCBCEGI-QGZVFWFLSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (CID 51454335) is (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccncc2)N1C1CCCC1.
What is the InChIKey of (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is WEBKYKQXCBCEGI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18-15-7-3-4-8-16(15)20-17(13-9-11-19-12-10-13)21(18)14-5-1-2-6-14/h3-4,7-12,14,17,20H,1-2,5-6H2/t17-/m1/s1.
What are the key properties of (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 51454335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).