3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one

C20H18N2O2 — CID 661528

IUPAC3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C20H18N2O2/c1-14-8-10-15(11-9-14)19-21-18-7-3-2-6-17(18)20(23)22(19)13-16-5-4-12-24-16/h2-12,19,21H,13H2,1H3
InChIKeyCMSFNGUCDZUPKY-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.35
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one

3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 661528) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID661528
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C20H18N2O2/c1-14-8-10-15(11-9-14)19-21-18-7-3-2-6-17(18)20(23)22(19)13-16-5-4-12-24-16/h2-12,19,21H,13H2,1H3
InChIKeyCMSFNGUCDZUPKY-UHFFFAOYSA-N
XLogP4.35
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409083
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
2-Furan-2-yl-2,3-dihydro-1H-perimidine
CID 647027
N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 661788
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
3-[(4-methoxyphenyl)methyl]-2,4-dioxo-N-(3-pyrrolidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
CID 3238409
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
3-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-furylmethyl)propanamide
CID 3242228
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
N-(2-furylmethyl)-N'-[4-(4-morpholinylcarbonyl)phenyl]thiourea
CID 970217

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 661528) is 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is CMSFNGUCDZUPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-8-10-15(11-9-14)19-21-18-7-3-2-6-17(18)20(23)22(19)13-16-5-4-12-24-16/h2-12,19,21H,13H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 318.38 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 661528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).