3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one

C16H15N3O2 — CID 827892

IUPAC3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one
SMILESCc1ccccc1OCc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C16H15N3O2/c1-11-6-2-5-9-14(11)21-10-15-18-13-8-4-3-7-12(13)16(20)19(15)17/h2-9H,10,17H2,1H3
InChIKeyMNGVORPYHMNFDM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one

3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one (PubChem CID 827892) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one
PubChem CID827892
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one
SMILESCc1ccccc1OCc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C16H15N3O2/c1-11-6-2-5-9-14(11)21-10-15-18-13-8-4-3-7-12(13)16(20)19(15)17/h2-9H,10,17H2,1H3
InChIKeyMNGVORPYHMNFDM-UHFFFAOYSA-N
XLogP2.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
2-phenoxymethyl-3H-quinazolin-4-one
CID 135416161
2-(2-ethoxyphenyl)-4-(3H)-quinazolone
CID 136006573
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137
2-ethyl-3-(2-methoxyphenyl)quinazolin-4(3H)-one
CID 754087
2-Methoxy-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-YL)benzamide
CID 4173504
2-(2-imino-2H-chromen-3-yl)quinazolin-4(3H)-one
CID 135449176
2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681131
2-[2-[(E)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenoxy]acetonitrile
CID 135681138
3-Amino-2-[(3-chlorophenoxy)methyl]-4(3H)-quinazolinone
CID 589404
2-(4-methoxyphenyl)-N-(4-oxo-2-phenylquinazolin-3(4H)-yl)acetamide
CID 1934406

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one (CID 827892) is 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one is Cc1ccccc1OCc1nc2ccccc2c(=O)n1N.
What is the InChIKey of 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
The InChIKey is MNGVORPYHMNFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-6-2-5-9-14(11)21-10-15-18-13-8-4-3-7-12(13)16(20)19(15)17/h2-9H,10,17H2,1H3.
What are the key properties of 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one has a molecular weight of 281.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one is sourced from PubChem (CID 827892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).