N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide

C27H28FN5O4 — CID 166515218

IUPACN-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccoc4)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C27H28FN5O4/c1-33-8-5-17(6-9-33)14-37-25-13-23-20(12-24(25)35-2)26(30-16-29-23)32-22-4-3-19(11-21(22)28)31-27(34)18-7-10-36-15-18/h3-4,7,10-13,15-17H,5-6,8-9,14H2,1-2H3,(H,31,34)(H,29,30,32)
InChIKeyMSIONLRTIJGGNE-UHFFFAOYSA-N
MW505.55 g/mol
LogP5.09
Rot. Bonds8

About N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide

N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide (PubChem CID 166515218) has the molecular formula C27H28FN5O4 and a molecular weight of 505.55 g/mol. Its IUPAC name is N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide
PubChem CID166515218
Molecular FormulaC27H28FN5O4
Molecular Weight505.55 g/mol
Exact Mass505.21
IUPAC NameN-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccoc4)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C27H28FN5O4/c1-33-8-5-17(6-9-33)14-37-25-13-23-20(12-24(25)35-2)26(30-16-29-23)32-22-4-3-19(11-21(22)28)31-27(34)18-7-10-36-15-18/h3-4,7,10-13,15-17H,5-6,8-9,14H2,1-2H3,(H,31,34)(H,29,30,32)
InChIKeyMSIONLRTIJGGNE-UHFFFAOYSA-N
XLogP5.09
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.55
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]formamide
CID 146180749
4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68530871
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104
1-[4-[[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 11156323
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
2-(4-acetylpiperazin-1-yl)-1-[4-[[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidin-1-yl]ethanone
CID 11215409
N-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 134566631
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
2-[(1S)-3-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 158147606
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 158046171
1-N'-[3-fluoro-4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxyphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 130443839

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide (CID 166515218) is N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide is COc1cc2c(Nc3ccc(NC(=O)c4ccoc4)cc3F)ncnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide?
The InChIKey is MSIONLRTIJGGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O4/c1-33-8-5-17(6-9-33)14-37-25-13-23-20(12-24(25)35-2)26(30-16-29-23)32-22-4-3-19(11-21(22)28)31-27(34)18-7-10-36-15-18/h3-4,7,10-13,15-17H,5-6,8-9,14H2,1-2H3,(H,31,34)(H,29,30,32).
What are the key properties of N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide?
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 166515218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).