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

C16H15N3O2 — CID 804944

IUPAC3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one
SMILESCc1cccc(OCc2nc3ccccc3c(=O)n2N)c1
InChIInChI=1S/C16H15N3O2/c1-11-5-4-6-12(9-11)21-10-15-18-14-8-3-2-7-13(14)16(20)19(15)17/h2-9H,10,17H2,1H3
InChIKeyHHKJDAAFHGGEJN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.00
Rot. Bonds3

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

3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one (PubChem CID 804944) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one
PubChem CID804944
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one
SMILESCc1cccc(OCc2nc3ccccc3c(=O)n2N)c1
InChIInChI=1S/C16H15N3O2/c1-11-5-4-6-12(9-11)21-10-15-18-14-8-3-2-7-13(14)16(20)19(15)17/h2-9H,10,17H2,1H3
InChIKeyHHKJDAAFHGGEJN-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 ≤ 500281.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Methoxy-2-phenyl-4(3H)-quinazolinone
CID 135439437
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
8-Methoxy-2-methyl-3H-quinazolin-4-one
CID 135411146
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
8-Methoxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One
CID 135566972
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151224
2-phenoxymethyl-3H-quinazolin-4-one
CID 135416161
2-(2-ethoxyphenyl)-4-(3H)-quinazolone
CID 136006573
2-(3-methoxyphenyl)quinazolin-4(3H)-one
CID 135486399
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one (CID 804944) is 3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one is Cc1cccc(OCc2nc3ccccc3c(=O)n2N)c1.
What is the InChIKey of 3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one?
The InChIKey is HHKJDAAFHGGEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-5-4-6-12(9-11)21-10-15-18-14-8-3-2-7-13(14)16(20)19(15)17/h2-9H,10,17H2,1H3.
What are the key properties of 3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one?
3-amino-2-[(3-methylphenoxy)methyl]quinazolin-4-one has a molecular weight of 281.32 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-[(3-methylphenoxy)methyl]quinazolin-4-one is sourced from PubChem (CID 804944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).