1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one

C24H27FN4O2 — CID 123252345

IUPAC1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F
InChIInChI=1S/C24H27FN4O2/c1-15(2)12-21(30)19-13-17(6-7-20(19)25)28-24-27-14-16-4-3-5-22(23(16)29-24)31-18-8-10-26-11-9-18/h3-7,13-15,18,26H,8-12H2,1-2H3,(H,27,28,29)
InChIKeyFUWZGQUDSZWLPY-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.87
Rot. Bonds7

About 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one

1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one (PubChem CID 123252345) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one
PubChem CID123252345
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F
InChIInChI=1S/C24H27FN4O2/c1-15(2)12-21(30)19-13-17(6-7-20(19)25)28-24-27-14-16-4-3-5-22(23(16)29-24)31-18-8-10-26-11-9-18/h3-7,13-15,18,26H,8-12H2,1-2H3,(H,27,28,29)
InChIKeyFUWZGQUDSZWLPY-UHFFFAOYSA-N
XLogP4.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
CID 67102852
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
CID 67102543
4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513550
2-chloro-4-[(5-chloro-8-piperidin-4-yloxyquinazolin-2-yl)amino]benzoic acid
CID 59199229
2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide
CID 59325283
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
CID 67102421
[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid
CID 154944208
4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513551
N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
N-(3-fluorophenyl)-6-(2-hydrazinylideneethanimidoyl)-7-piperidin-4-yloxyquinazolin-2-amine
CID 163986154

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one?
The IUPAC name of 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one (CID 123252345) is 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one is CC(C)CC(=O)c1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one?
The InChIKey is FUWZGQUDSZWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-15(2)12-21(30)19-13-17(6-7-20(19)25)28-24-27-14-16-4-3-5-22(23(16)29-24)31-18-8-10-26-11-9-18/h3-7,13-15,18,26H,8-12H2,1-2H3,(H,27,28,29).
What are the key properties of 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one?
1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one has a molecular weight of 422.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one is sourced from PubChem (CID 123252345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).