3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one

C19H20N4O — CID 175840653

IUPAC3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one
SMILESC[C@@H]1C[C@@H](n2c(-c3ccccn3)nc3ccccc3c2=O)CCN1
InChIInChI=1S/C19H20N4O/c1-13-12-14(9-11-20-13)23-18(17-8-4-5-10-21-17)22-16-7-3-2-6-15(16)19(23)24/h2-8,10,13-14,20H,9,11-12H2,1H3/t13-,14+/m1/s1
InChIKeyIXERPLAHJUXUJC-KGLIPLIRSA-N
MW320.40 g/mol
LogP2.77
Rot. Bonds2

About 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one

3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one (PubChem CID 175840653) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one
PubChem CID175840653
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one
SMILESC[C@@H]1C[C@@H](n2c(-c3ccccn3)nc3ccccc3c2=O)CCN1
InChIInChI=1S/C19H20N4O/c1-13-12-14(9-11-20-13)23-18(17-8-4-5-10-21-17)22-16-7-3-2-6-15(16)19(23)24/h2-8,10,13-14,20H,9,11-12H2,1H3/t13-,14+/m1/s1
InChIKeyIXERPLAHJUXUJC-KGLIPLIRSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735050
3-(5-methyl-2-pyridinyl)-2-pyridin-2-ylquinazolin-4-one
CID 102475909
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735055
(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 11367672
3-piperidin-2-yl-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164809
2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
CID 70644787
6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
CID 135453196
4-tert-butyl-N-(4-oxo-2-pyridin-2-ylquinazolin-3-yl)benzamide
CID 23854731
1-(1-propylpiperidin-4-yl)-2-pyridin-2-ylbenzimidazole
CID 56852643
2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
CID 62409793
3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
CID 154830982

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one?
The IUPAC name of 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one (CID 175840653) is 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one.
What is the SMILES notation for 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one?
The canonical SMILES for 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one is C[C@@H]1C[C@@H](n2c(-c3ccccn3)nc3ccccc3c2=O)CCN1.
What is the InChIKey of 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one?
The InChIKey is IXERPLAHJUXUJC-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-12-14(9-11-20-13)23-18(17-8-4-5-10-21-17)22-16-7-3-2-6-15(16)19(23)24/h2-8,10,13-14,20H,9,11-12H2,1H3/t13-,14+/m1/s1.
What are the key properties of 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one?
3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one has a molecular weight of 320.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one is sourced from PubChem (CID 175840653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).