N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine

C27H32N4O2 — CID 145172275

IUPACN-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
SMILESCC(C)CN.COc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C23H21N3O2.C4H11N/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;1-4(2)3-5/h3-11,13-15H,12H2,1-2H3,(H,24,25,26);4H,3,5H2,1-2H3
InChIKeyXZKJDMIBWDTUHY-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.58
Rot. Bonds7

About N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine

N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine (PubChem CID 145172275) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
PubChem CID145172275
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
SMILESCC(C)CN.COc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C23H21N3O2.C4H11N/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;1-4(2)3-5/h3-11,13-15H,12H2,1-2H3,(H,24,25,26);4H,3,5H2,1-2H3
InChIKeyXZKJDMIBWDTUHY-UHFFFAOYSA-N
XLogP5.58
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
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
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
N'-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethyl]-N-propylmethanediamine
CID 145172257
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
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

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine?
The IUPAC name of N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine (CID 145172275) is N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine.
What is the SMILES notation for N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine?
The canonical SMILES for N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine is CC(C)CN.COc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine?
The InChIKey is XZKJDMIBWDTUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.C4H11N/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;1-4(2)3-5/h3-11,13-15H,12H2,1-2H3,(H,24,25,26);4H,3,5H2,1-2H3.
What are the key properties of N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine?
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine has a molecular weight of 444.58 g/mol, XLogP of 5.58, 7 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;2-methylpropan-1-amine is sourced from PubChem (CID 145172275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).