N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine

C24H26N4O2 — CID 145172254

IUPACN-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
SMILESCN.COc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C23H21N3O2.CH5N/c1-27-21-13-19-20(14-22(21)28-2)24-15-25-23(19)26-18-10-8-17(9-11-18)12-16-6-4-3-5-7-16;1-2/h3-11,13-15H,12H2,1-2H3,(H,24,25,26);2H2,1H3
InChIKeyYBJBVIMYYZTPCJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.56
Rot. Bonds6

About N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine

N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine (PubChem CID 145172254) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine.

Molecular Properties

Compound NameN-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
PubChem CID145172254
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
SMILESCN.COc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C23H21N3O2.CH5N/c1-27-21-13-19-20(14-22(21)28-2)24-15-25-23(19)26-18-10-8-17(9-11-18)12-16-6-4-3-5-7-16;1-2/h3-11,13-15H,12H2,1-2H3,(H,24,25,26);2H2,1H3
InChIKeyYBJBVIMYYZTPCJ-UHFFFAOYSA-N
XLogP4.56
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
CID 145172275
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
CID 122628612
2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid
CID 11441241
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N'-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethyl]-N-propylmethanediamine
CID 145172257
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
CID 18967638
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine?
The IUPAC name of N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine (CID 145172254) is N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine.
What is the SMILES notation for N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine?
The canonical SMILES for N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine is CN.COc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine?
The InChIKey is YBJBVIMYYZTPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.CH5N/c1-27-21-13-19-20(14-22(21)28-2)24-15-25-23(19)26-18-10-8-17(9-11-18)12-16-6-4-3-5-7-16;1-2/h3-11,13-15H,12H2,1-2H3,(H,24,25,26);2H2,1H3.
What are the key properties of N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine?
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine has a molecular weight of 402.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine is sourced from PubChem (CID 145172254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).