2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

C28H36N4O3 — CID 175809802

IUPAC2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(N)nc(-c3ccc(OC4CCCCC4)cc3)nc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C28H36N4O3/c1-32-14-12-19(13-15-32)18-34-26-17-24-23(16-25(26)33-2)27(29)31-28(30-24)20-8-10-22(11-9-20)35-21-6-4-3-5-7-21/h8-11,16-17,19,21H,3-7,12-15,18H2,1-2H3,(H2,29,30,31)
InChIKeyMTLKQBCKDAKYKO-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.32
Rot. Bonds7

About 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (PubChem CID 175809802) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
PubChem CID175809802
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(N)nc(-c3ccc(OC4CCCCC4)cc3)nc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C28H36N4O3/c1-32-14-12-19(13-15-32)18-34-26-17-24-23(16-25(26)33-2)27(29)31-28(30-24)20-8-10-22(11-9-20)35-21-6-4-3-5-7-21/h8-11,16-17,19,21H,3-7,12-15,18H2,1-2H3,(H2,29,30,31)
InChIKeyMTLKQBCKDAKYKO-UHFFFAOYSA-N
XLogP5.32
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine with MolForge

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Related Compounds

2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 175385358
2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 175809823
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-amino-5-methoxy-4-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 22349664
6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 74250739
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 22997425
2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine
CID 130345668
6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine
CID 166241664

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The IUPAC name of 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (CID 175809802) is 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is COc1cc2c(N)nc(-c3ccc(OC4CCCCC4)cc3)nc2cc1OCC1CCN(C)CC1.
What is the InChIKey of 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The InChIKey is MTLKQBCKDAKYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-32-14-12-19(13-15-32)18-34-26-17-24-23(16-25(26)33-2)27(29)31-28(30-24)20-8-10-22(11-9-20)35-21-6-4-3-5-7-21/h8-11,16-17,19,21H,3-7,12-15,18H2,1-2H3,(H2,29,30,31).
What are the key properties of 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine has a molecular weight of 476.62 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 175809802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).