6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

C15H17N3O2 — CID 82008974

IUPAC6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCNC(c1ccoc1)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H17N3O2/c1-16-14(11-5-6-20-9-11)10-3-4-13-12(7-10)8-18(2)15(19)17-13/h3-7,9,14,16H,8H2,1-2H3,(H,17,19)
InChIKeyRNKKMEWBWOVONH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.57
Rot. Bonds3

About 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82008974) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82008974
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCNC(c1ccoc1)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H17N3O2/c1-16-14(11-5-6-20-9-11)10-3-4-13-12(7-10)8-18(2)15(19)17-13/h3-7,9,14,16H,8H2,1-2H3,(H,17,19)
InChIKeyRNKKMEWBWOVONH-UHFFFAOYSA-N
XLogP2.57
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one
CID 82010160
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010658
1-(furan-3-yl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43487185
6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009732
6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009726
3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
CID 155179364
6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 106689209
3-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82009472
6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010582

Frequently Asked Questions

What is the IUPAC name of 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 82008974) is 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CNC(c1ccoc1)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is RNKKMEWBWOVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-14(11-5-6-20-9-11)10-3-4-13-12(7-10)8-18(2)15(19)17-13/h3-7,9,14,16H,8H2,1-2H3,(H,17,19).
What are the key properties of 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82008974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).