(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate

C19H18N2O3 — CID 32670302

IUPAC(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2nc(C)c3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-16-5-3-4-6-17(16)21-18(20-13)12-24-19(22)11-14-7-9-15(23-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyBGQKVXSUCRGHHA-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.23
Rot. Bonds5

About (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate

(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate (PubChem CID 32670302) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate
PubChem CID32670302
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2nc(C)c3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-16-5-3-4-6-17(16)21-18(20-13)12-24-19(22)11-14-7-9-15(23-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyBGQKVXSUCRGHHA-UHFFFAOYSA-N
XLogP3.23
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
CID 25498133
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
CID 9451944
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
CID 30339575
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
CID 101184767
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131

Frequently Asked Questions

What is the IUPAC name of (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate (CID 32670302) is (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCc2nc(C)c3ccccc3n2)cc1.
What is the InChIKey of (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate?
The InChIKey is BGQKVXSUCRGHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-16-5-3-4-6-17(16)21-18(20-13)12-24-19(22)11-14-7-9-15(23-2)10-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate?
(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate has a molecular weight of 322.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 32670302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).