2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C19H24N4O2 — CID 135644892

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-25-15-6-4-5-14(13-15)22-9-11-23(12-10-22)19-20-17-8-3-2-7-16(17)18(24)21-19/h4-6,13H,2-3,7-12H2,1H3,(H,20,21,24)
InChIKeySGEGLEFCEAUJJJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.98
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135644892) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135644892
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-25-15-6-4-5-14(13-15)22-9-11-23(12-10-22)19-20-17-8-3-2-7-16(17)18(24)21-19/h4-6,13H,2-3,7-12H2,1H3,(H,20,21,24)
InChIKeySGEGLEFCEAUJJJ-UHFFFAOYSA-N
XLogP1.98
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

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Related Compounds

1-tert-butyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260725
2-(7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594229
6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158166051
4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135893937
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135465153
1-(3-methoxyphenyl)azepane
CID 57276431
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135514886
7-[(2-hydroxy-4-methoxyphenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674493
7-[(3-methoxyphenyl)methyl]-2-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136763941
7-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136735468
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135995422

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135644892) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is COc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is SGEGLEFCEAUJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-15-6-4-5-14(13-15)22-9-11-23(12-10-22)19-20-17-8-3-2-7-16(17)18(24)21-19/h4-6,13H,2-3,7-12H2,1H3,(H,20,21,24).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 340.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135644892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).