2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline

C22H20N4O2 — CID 134851004

IUPAC2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline
SMILES[H]/N=c1\c2cc(OC)ccc2nc(-c2cc(OC)ccc2N)n1-c1ccccc1
InChIInChI=1S/C22H20N4O2/c1-27-15-8-10-19(23)17(12-15)22-25-20-11-9-16(28-2)13-18(20)21(24)26(22)14-6-4-3-5-7-14/h3-13,24H,23H2,1-2H3/b24-21+
InChIKeyYYUXRWBNARDLOQ-DARPEHSRSA-N
MW372.43 g/mol
LogP3.77
Rot. Bonds4

About 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline

2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline (PubChem CID 134851004) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline
PubChem CID134851004
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline
SMILES[H]/N=c1\c2cc(OC)ccc2nc(-c2cc(OC)ccc2N)n1-c1ccccc1
InChIInChI=1S/C22H20N4O2/c1-27-15-8-10-19(23)17(12-15)22-25-20-11-9-16(28-2)13-18(20)21(24)26(22)14-6-4-3-5-7-14/h3-13,24H,23H2,1-2H3/b24-21+
InChIKeyYYUXRWBNARDLOQ-DARPEHSRSA-N
XLogP3.77
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N'-diphenyl-4-methoxybenzamidine
CID 467231
2-Methoxy-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine
CID 15521599
3-(4-Methoxyphenyl)-2-phenylquinazolin-4-imine
CID 122226451
N~1~,N'~1~-Bis(4-methoxyphenyl)-1-benzenecarboximidamide
CID 3027143
1-(4-Methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 681439
2-(3-methoxyphenyl)-1H-perimidine
CID 801496
2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4(1H)-quinazolinethione
CID 1252362
7-Methoxy-10-methyl-2-phenylpyrimido[4,5-b]quinolin-4-one
CID 44421994
2-(3-methoxyphenyl)-1H-quinazoline-4-thione
CID 127049803
3-(4-Methoxyphenyl)-2-phenylquinazolin-4-imine;hydrochloride
CID 137636196
6-ethoxy-3-(4-ethoxyphenyl)-4H-quinazoline
CID 2802225
((1E)-1,2-diphenyl-2-azavinyl)(4-methoxyphenyl)amine
CID 3343092

Frequently Asked Questions

What is the IUPAC name of 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline?
The IUPAC name of 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline (CID 134851004) is 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline?
The canonical SMILES for 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline is [H]/N=c1\c2cc(OC)ccc2nc(-c2cc(OC)ccc2N)n1-c1ccccc1.
What is the InChIKey of 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline?
The InChIKey is YYUXRWBNARDLOQ-DARPEHSRSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-27-15-8-10-19(23)17(12-15)22-25-20-11-9-16(28-2)13-18(20)21(24)26(22)14-6-4-3-5-7-14/h3-13,24H,23H2,1-2H3/b24-21+.
What are the key properties of 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline?
2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline has a molecular weight of 372.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imino-6-methoxy-3-phenylquinazolin-2-yl)-4-methoxyaniline is sourced from PubChem (CID 134851004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).