6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine

C26H28N4O2 — CID 122628612

IUPAC6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
SMILESCCCN[C@H](c1ccccc1)c1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C26H28N4O2/c1-4-14-27-25(18-8-6-5-7-9-18)19-10-12-20(13-11-19)30-26-21-15-23(31-2)24(32-3)16-22(21)28-17-29-26/h5-13,15-17,25,27H,4,14H2,1-3H3,(H,28,29,30)/t25-/m1/s1
InChIKeyZMBSJUJLTIVSAJ-RUZDIDTESA-N
MW428.54 g/mol
LogP5.48
Rot. Bonds9

About 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine

6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine (PubChem CID 122628612) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
PubChem CID122628612
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
SMILESCCCN[C@H](c1ccccc1)c1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C26H28N4O2/c1-4-14-27-25(18-8-6-5-7-9-18)19-10-12-20(13-11-19)30-26-21-15-23(31-2)24(32-3)16-22(21)28-17-29-26/h5-13,15-17,25,27H,4,14H2,1-3H3,(H,28,29,30)/t25-/m1/s1
InChIKeyZMBSJUJLTIVSAJ-RUZDIDTESA-N
XLogP5.48
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethyl]-N-propylmethanediamine
CID 145172257
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
CID 145172275
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
CID 159200740
[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
CID 18967638
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
CID 10181663

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine (CID 122628612) is 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine is CCCN[C@H](c1ccccc1)c1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine?
The InChIKey is ZMBSJUJLTIVSAJ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28N4O2/c1-4-14-27-25(18-8-6-5-7-9-18)19-10-12-20(13-11-19)30-26-21-15-23(31-2)24(32-3)16-22(21)28-17-29-26/h5-13,15-17,25,27H,4,14H2,1-3H3,(H,28,29,30)/t25-/m1/s1.
What are the key properties of 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine?
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 5.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 122628612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).