1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one

C19H21ClN4O — CID 11152498

IUPAC1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2c(N3CCNCC3)cccc2N1Cc1ccccc1Cl
InChIInChI=1S/C19H21ClN4O/c20-16-5-2-1-4-14(16)13-24-18-7-3-6-17(15(18)12-22-19(24)25)23-10-8-21-9-11-23/h1-7,21H,8-13H2,(H,22,25)
InChIKeyFTMAFOYMGFSILB-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.98
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one

1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one (PubChem CID 11152498) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
PubChem CID11152498
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2c(N3CCNCC3)cccc2N1Cc1ccccc1Cl
InChIInChI=1S/C19H21ClN4O/c20-16-5-2-1-4-14(16)13-24-18-7-3-6-17(15(18)12-22-19(24)25)23-10-8-21-9-11-23/h1-7,21H,8-13H2,(H,22,25)
InChIKeyFTMAFOYMGFSILB-UHFFFAOYSA-N
XLogP2.98
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2(1H)-one
CID 22648190
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(2,4-difluorophenyl)urea
CID 2810578
N-(4-chlorophenyl)-N'-[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]urea
CID 2214231
3-{2-[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]ethyl}-1-(4-chlorophenyl)urea
CID 15989688
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N'-[2-(trifluoromethyl)phenyl]urea
CID 15989718
4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 6465286
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(piperazin-1-yl)-3,4-dihydroquinazolin-2(1H)-one
CID 10163288
1-[1''-(2-Chloro-benzyl)-[1,4'']bipiperidinyl-4-yl]-1,3-dihydro-benzoimidazol-2-one
CID 10251795
3-(2-(1-benzylpiperidin-4-yl)ethyl)-3,4-dihydroquinazolin-2(1H)-one
CID 10383200
N-(3-{4-[3-(5-Chloro-2-oxo-3,4-dihydro-2H-quinolin-1-yl)-propyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10503289
1-{[(3R)-1-Benzylpiperidin-3-yl]methyl}-N-(3,4-dichlorophenyl)piperazine-4-carboxamide
CID 11510932
1-{3-[4-(3-Amino-phenyl)-piperazin-1-yl]-propyl}-5-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11795203

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one (CID 11152498) is 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one is O=C1NCc2c(N3CCNCC3)cccc2N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is FTMAFOYMGFSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-16-5-2-1-4-14(16)13-24-18-7-3-6-17(15(18)12-22-19(24)25)23-10-8-21-9-11-23/h1-7,21H,8-13H2,(H,22,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one has a molecular weight of 356.86 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 11152498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).