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

C28H29FN4O3 — CID 175809823

IUPAC2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(N)nc(-c3ccc(Oc4ccccc4)cc3F)nc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C28H29FN4O3/c1-33-12-10-18(11-13-33)17-35-26-16-24-22(15-25(26)34-2)27(30)32-28(31-24)21-9-8-20(14-23(21)29)36-19-6-4-3-5-7-19/h3-9,14-16,18H,10-13,17H2,1-2H3,(H2,30,31,32)
InChIKeyCNSQEYZDLUDGDH-UHFFFAOYSA-N
MW488.56 g/mol
LogP5.54
Rot. Bonds7

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

2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (PubChem CID 175809823) has the molecular formula C28H29FN4O3 and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
PubChem CID175809823
Molecular FormulaC28H29FN4O3
Molecular Weight488.56 g/mol
Exact Mass488.22
IUPAC Name2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(N)nc(-c3ccc(Oc4ccccc4)cc3F)nc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C28H29FN4O3/c1-33-12-10-18(11-13-33)17-35-26-16-24-22(15-25(26)34-2)27(30)32-28(31-24)21-9-8-20(14-23(21)29)36-19-6-4-3-5-7-19/h3-9,14-16,18H,10-13,17H2,1-2H3,(H2,30,31,32)
InChIKeyCNSQEYZDLUDGDH-UHFFFAOYSA-N
XLogP5.54
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluoro-4-phenoxyphenyl)-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-(4-cyclohexyloxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 175809802
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-N-(oxan-4-yl)acridin-9-amine
CID 130345668
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
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
N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N'-(2-phenylethyl)oxamide
CID 66677912
6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine
CID 74250631

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The IUPAC name of 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (CID 175809823) is 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is COc1cc2c(N)nc(-c3ccc(Oc4ccccc4)cc3F)nc2cc1OCC1CCN(C)CC1.
What is the InChIKey of 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The InChIKey is CNSQEYZDLUDGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3/c1-33-12-10-18(11-13-33)17-35-26-16-24-22(15-25(26)34-2)27(30)32-28(31-24)21-9-8-20(14-23(21)29)36-19-6-4-3-5-7-19/h3-9,14-16,18H,10-13,17H2,1-2H3,(H2,30,31,32).
What are the key properties of 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine has a molecular weight of 488.56 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 175809823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).