2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one

C24H26N4O — CID 135529346

IUPAC2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12
InChIInChI=1S/C24H26N4O/c29-23-21-8-4-5-9-22(21)25-24(26-23)28-16-12-20(13-17-28)27-14-10-19(11-15-27)18-6-2-1-3-7-18/h1-10,20H,11-17H2,(H,25,26,29)
InChIKeyTYIYEEGUDVBHEJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.68
Rot. Bonds3

About 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one

2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one (PubChem CID 135529346) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one
PubChem CID135529346
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12
InChIInChI=1S/C24H26N4O/c29-23-21-8-4-5-9-22(21)25-24(26-23)28-16-12-20(13-17-28)27-14-10-19(11-15-27)18-6-2-1-3-7-18/h1-10,20H,11-17H2,(H,25,26,29)
InChIKeyTYIYEEGUDVBHEJ-UHFFFAOYSA-N
XLogP3.68
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
(-)-6,7,7a,8-Tetrahydroquinazolino(3',2':1,6)pyrido(2,3-b)(1,4)benzodiazepine-9,16-dione
CID 130919
ME0328
CID 135566764
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
2-((2-((3R)-3-Aminopiperidin-1-YL)-4-oxoquinazolin-3(4H)-YL)methyl)benzonitrile
CID 23647311
2-(propylamino)-4(3H)-quinazolinone
CID 135439661
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
4(1H)-Quinazolinone, 2-(4-methyl-1-piperazinyl)-
CID 135399236
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
4(3H)-Quinazolinone, 2-morpholino-
CID 135413123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one (CID 135529346) is 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one is O=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is TYIYEEGUDVBHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-23-21-8-4-5-9-22(21)25-24(26-23)28-16-12-20(13-17-28)27-14-10-19(11-15-27)18-6-2-1-3-7-18/h1-10,20H,11-17H2,(H,25,26,29).
What are the key properties of 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one?
2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 386.50 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)piperidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135529346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).