7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one

C23H24N4O3 — CID 126896832

IUPAC7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(C(=O)C4Cc5ccccc5CO4)CC3)ccc2c1=O
InChIInChI=1S/C23H24N4O3/c1-25-15-24-20-13-18(6-7-19(20)22(25)28)26-8-10-27(11-9-26)23(29)21-12-16-4-2-3-5-17(16)14-30-21/h2-7,13,15,21H,8-12,14H2,1H3
InChIKeyBETLEXPQPXLOCB-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.72
Rot. Bonds2

About 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one

7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126896832) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
PubChem CID126896832
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(C(=O)C4Cc5ccccc5CO4)CC3)ccc2c1=O
InChIInChI=1S/C23H24N4O3/c1-25-15-24-20-13-18(6-7-19(20)22(25)28)26-8-10-27(11-9-26)23(29)21-12-16-4-2-3-5-17(16)14-30-21/h2-7,13,15,21H,8-12,14H2,1H3
InChIKeyBETLEXPQPXLOCB-UHFFFAOYSA-N
XLogP1.72
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896825
7-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896774
7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896770
7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126898994
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-hydroxyethyl)-7-[4-(4-methylcyclohexanecarbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898597
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126896977
3-methyl-2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126897211

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one (CID 126896832) is 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one is Cn1cnc2cc(N3CCN(C(=O)C4Cc5ccccc5CO4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is BETLEXPQPXLOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-25-15-24-20-13-18(6-7-19(20)22(25)28)26-8-10-27(11-9-26)23(29)21-12-16-4-2-3-5-17(16)14-30-21/h2-7,13,15,21H,8-12,14H2,1H3.
What are the key properties of 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one?
7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 404.47 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126896832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).