7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one

C23H24N4O3 — CID 126896825

IUPAC7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(C(=O)C4CCc5ccccc5O4)CC3)ccc2c1=O
InChIInChI=1S/C23H24N4O3/c1-25-15-24-19-14-17(7-8-18(19)22(25)28)26-10-12-27(13-11-26)23(29)21-9-6-16-4-2-3-5-20(16)30-21/h2-5,7-8,14-15,21H,6,9-13H2,1H3
InChIKeyAYYPJEDRXIEPIK-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.98
Rot. Bonds2

About 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one

7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126896825) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
PubChem CID126896825
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(C(=O)C4CCc5ccccc5O4)CC3)ccc2c1=O
InChIInChI=1S/C23H24N4O3/c1-25-15-24-19-14-17(7-8-18(19)22(25)28)26-10-12-27(13-11-26)23(29)21-9-6-16-4-2-3-5-20(16)30-21/h2-5,7-8,14-15,21H,6,9-13H2,1H3
InChIKeyAYYPJEDRXIEPIK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(3,4-dihydro-2H-chromene-2-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-(2-methoxyethyl)quinazolin-4-one
CID 126898994
7-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896774
7-[4-(3,4-dihydro-1H-isochromene-3-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896832
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470
7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896770
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
5-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91793828
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
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
7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897247
2,3-dihydro-1-benzofuran-2-yl-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263199

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one (CID 126896825) is 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one is Cn1cnc2cc(N3CCN(C(=O)C4CCc5ccccc5O4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is AYYPJEDRXIEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-25-15-24-19-14-17(7-8-18(19)22(25)28)26-10-12-27(13-11-26)23(29)21-9-6-16-4-2-3-5-20(16)30-21/h2-5,7-8,14-15,21H,6,9-13H2,1H3.
What are the key properties of 7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one?
7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 404.47 g/mol, XLogP of 1.98, 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-2H-chromene-2-carbonyl)piperazin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126896825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).