N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine

C24H23N3O3 — CID 3232936

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4ccc(OC)cc4OC)c3c2)c1
InChIInChI=1S/C24H23N3O3/c1-28-19-6-4-5-16(11-19)17-8-10-22-21(12-17)24(27-15-26-22)25-14-18-7-9-20(29-2)13-23(18)30-3/h4-13,15H,14H2,1-3H3,(H,25,26,27)
InChIKeyCNOXMTLXQYVWRB-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.93
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 3232936) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID3232936
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4ccc(OC)cc4OC)c3c2)c1
InChIInChI=1S/C24H23N3O3/c1-28-19-6-4-5-16(11-19)17-8-10-22-21(12-17)24(27-15-26-22)25-14-18-7-9-20(29-2)13-23(18)30-3/h4-13,15H,14H2,1-3H3,(H,25,26,27)
InChIKeyCNOXMTLXQYVWRB-UHFFFAOYSA-N
XLogP4.93
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine (CID 3232936) is N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(NCc4ccc(OC)cc4OC)c3c2)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is CNOXMTLXQYVWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-28-19-6-4-5-16(11-19)17-8-10-22-21(12-17)24(27-15-26-22)25-14-18-7-9-20(29-2)13-23(18)30-3/h4-13,15H,14H2,1-3H3,(H,25,26,27).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 401.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 3232936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).