(2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate

C24H22N4O4 — CID 3008600

IUPAC(2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate
SMILESCOc1cccc(OC)c1-c1cccc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C24H22N4O4/c1-30-19-7-4-8-20(31-2)21(19)15-5-3-6-16(12-15)23(29)32-13-14-9-10-18-17(11-14)22(25)28-24(26)27-18/h3-12H,13H2,1-2H3,(H4,25,26,27,28)
InChIKeyVHUMDNIVMQRTJS-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.84
Rot. Bonds6

About (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate

(2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate (PubChem CID 3008600) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate.

Molecular Properties

Compound Name(2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate
PubChem CID3008600
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name(2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate
SMILESCOc1cccc(OC)c1-c1cccc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C24H22N4O4/c1-30-19-7-4-8-20(31-2)21(19)15-5-3-6-16(12-15)23(29)32-13-14-9-10-18-17(11-14)22(25)28-24(26)27-18/h3-12H,13H2,1-2H3,(H4,25,26,27,28)
InChIKeyVHUMDNIVMQRTJS-UHFFFAOYSA-N
XLogP3.84
TPSA122.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate?
The IUPAC name of (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate (CID 3008600) is (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate.
What is the SMILES notation for (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate?
The canonical SMILES for (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate is COc1cccc(OC)c1-c1cccc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)c1.
What is the InChIKey of (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate?
The InChIKey is VHUMDNIVMQRTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-19-7-4-8-20(31-2)21(19)15-5-3-6-16(12-15)23(29)32-13-14-9-10-18-17(11-14)22(25)28-24(26)27-18/h3-12H,13H2,1-2H3,(H4,25,26,27,28).
What are the key properties of (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate?
(2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate has a molecular weight of 430.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminoquinazolin-6-yl)methyl 3-(2,6-dimethoxyphenyl)benzoate is sourced from PubChem (CID 3008600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).