2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

C23H21N3O2 — CID 20963119

IUPAC2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCc3ccccc3OC)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3O2/c1-27-18-13-11-16(12-14-18)22-25-20-9-5-4-8-19(20)23(26-22)24-15-17-7-3-6-10-21(17)28-2/h3-14H,15H2,1-2H3,(H,24,25,26)
InChIKeyVAHNCCNBDKGMBY-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.93
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 20963119) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID20963119
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCc3ccccc3OC)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N3O2/c1-27-18-13-11-16(12-14-18)22-25-20-9-5-4-8-19(20)23(26-22)24-15-17-7-3-6-10-21(17)28-2/h3-14H,15H2,1-2H3,(H,24,25,26)
InChIKeyVAHNCCNBDKGMBY-UHFFFAOYSA-N
XLogP4.93
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 91963294
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587
N-[(2,4-dimethoxyphenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 46354956
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 92725678
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
CID 20963212
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 69221521
N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012925

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 20963119) is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(-c2nc(NCc3ccccc3OC)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is VAHNCCNBDKGMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-18-13-11-16(12-14-18)22-25-20-9-5-4-8-19(20)23(26-22)24-15-17-7-3-6-10-21(17)28-2/h3-14H,15H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 20963119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).