4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride

C19H22ClN3O — CID 67627664

IUPAC4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
SMILESCl.O=C1Nc2ccccc2C(c2ccccc2)N1C1CCNCC1
InChIInChI=1S/C19H21N3O.ClH/c23-19-21-17-9-5-4-8-16(17)18(14-6-2-1-3-7-14)22(19)15-10-12-20-13-11-15;/h1-9,15,18,20H,10-13H2,(H,21,23);1H
InChIKeySXVZAKKAVMAJKF-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.80
Rot. Bonds2

About 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride

4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride (PubChem CID 67627664) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
PubChem CID67627664
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
SMILESCl.O=C1Nc2ccccc2C(c2ccccc2)N1C1CCNCC1
InChIInChI=1S/C19H21N3O.ClH/c23-19-21-17-9-5-4-8-16(17)18(14-6-2-1-3-7-14)22(19)15-10-12-20-13-11-15;/h1-9,15,18,20H,10-13H2,(H,21,23);1H
InChIKeySXVZAKKAVMAJKF-UHFFFAOYSA-N
XLogP3.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-3-piperidin-4-yl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 19423581
4-phenyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 19423594
3-[1-[(2,4-difluoro-3-methoxyphenyl)-fluoromethyl]piperidin-4-yl]-4-phenyl-1,4-dihydroquinazolin-2-one
CID 174446525
4-phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 10188853
methyl 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzoate
CID 19423543
4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one
CID 19423615
(5S)-5-phenyl-3-piperidin-4-ylimidazolidine-2,4-dione
CID 94754129
(5S)-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51669604
5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride
CID 67171133
1-cyclohexyl-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
CID 69034875
4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
CID 22914652
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 167995797

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride?
The IUPAC name of 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride (CID 67627664) is 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride.
What is the SMILES notation for 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride?
The canonical SMILES for 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride is Cl.O=C1Nc2ccccc2C(c2ccccc2)N1C1CCNCC1.
What is the InChIKey of 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride?
The InChIKey is SXVZAKKAVMAJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c23-19-21-17-9-5-4-8-16(17)18(14-6-2-1-3-7-14)22(19)15-10-12-20-13-11-15;/h1-9,15,18,20H,10-13H2,(H,21,23);1H.
What are the key properties of 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride?
4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride is sourced from PubChem (CID 67627664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).