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

C19H21ClN4O — CID 11428267

IUPAC1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2c(N3CCNCC3)cccc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN4O/c20-15-4-1-3-14(11-15)13-24-18-6-2-5-17(16(18)12-22-19(24)25)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12-13H2,(H,22,25)
InChIKeyCNEXRAAANDGMPR-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.98
Rot. Bonds3

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

1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one (PubChem CID 11428267) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
PubChem CID11428267
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2c(N3CCNCC3)cccc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN4O/c20-15-4-1-3-14(11-15)13-24-18-6-2-5-17(16(18)12-22-19(24)25)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12-13H2,(H,22,25)
InChIKeyCNEXRAAANDGMPR-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one (CID 11428267) is 1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one is O=C1NCc2c(N3CCNCC3)cccc2N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is CNEXRAAANDGMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-15-4-1-3-14(11-15)13-24-18-6-2-5-17(16(18)12-22-19(24)25)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12-13H2,(H,22,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
1-[(3-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-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 11428267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).