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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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).