N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide

C28H28FN5O2 — CID 134492426

IUPACN-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(OC5CCN(C)CC5F)cc4)nc23)c1
InChIInChI=1S/C28H28FN5O2/c1-18(35)31-22-7-3-5-19(15-22)24-8-4-6-20-16-30-28(33-27(20)24)32-21-9-11-23(12-10-21)36-26-13-14-34(2)17-25(26)29/h3-12,15-16,25-26H,13-14,17H2,1-2H3,(H,31,35)(H,30,32,33)
InChIKeyIHNOCSBJPNEGIB-UHFFFAOYSA-N
MW485.56 g/mol
LogP5.42
Rot. Bonds6

About N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide

N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide (PubChem CID 134492426) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide
PubChem CID134492426
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC NameN-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(OC5CCN(C)CC5F)cc4)nc23)c1
InChIInChI=1S/C28H28FN5O2/c1-18(35)31-22-7-3-5-19(15-22)24-8-4-6-20-16-30-28(33-27(20)24)32-21-9-11-23(12-10-21)36-26-13-14-34(2)17-25(26)29/h3-12,15-16,25-26H,13-14,17H2,1-2H3,(H,31,35)(H,30,32,33)
InChIKeyIHNOCSBJPNEGIB-UHFFFAOYSA-N
XLogP5.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]oxyphenyl]-8-phenylquinazolin-2-amine
CID 141446351
N-[3-[2-[4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 152847029
N-[3-[2-[4-[(3S)-1-acetylpyrrolidin-3-yl]oxyanilino]quinazolin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[4-[4-(2-fluoroethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 175304739
3-fluoro-N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 154060383
2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol
CID 138463296
N,1-dimethyl-4-[4-[[8-[3-(prop-2-enoylamino)phenyl]quinazolin-2-yl]amino]phenyl]piperazine-2-carboxamide
CID 123909291
N-[2-fluoro-3-[2-[4-[(3-fluoro-1-methylpiperidin-4-yl)amino]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134488606
8-(3-aminophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine;methane;N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 162105137
N-[3-[2-(4-aminoanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 138463042
N-[5-[[8-(3-chlorophenyl)quinazolin-2-yl]amino]-2-[methyl-(1-methylpyrrolidin-3-yl)amino]phenyl]prop-2-enamide
CID 122474420
2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol;prop-2-enal
CID 144797231
N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide
CID 139310528

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide (CID 134492426) is N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(OC5CCN(C)CC5F)cc4)nc23)c1.
What is the InChIKey of N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide?
The InChIKey is IHNOCSBJPNEGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-18(35)31-22-7-3-5-19(15-22)24-8-4-6-20-16-30-28(33-27(20)24)32-21-9-11-23(12-10-21)36-26-13-14-34(2)17-25(26)29/h3-12,15-16,25-26H,13-14,17H2,1-2H3,(H,31,35)(H,30,32,33).
What are the key properties of N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide?
N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide has a molecular weight of 485.56 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide is sourced from PubChem (CID 134492426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).