N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide

C23H24F2N4O4 — CID 130343852

IUPACN-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide
SMILESCOc1cc2c(Oc3cccc(NC=O)c3)ncnc2cc1OC1CCN(CC(F)F)CC1
InChIInChI=1S/C23H24F2N4O4/c1-31-20-10-18-19(11-21(20)32-16-5-7-29(8-6-16)12-22(24)25)26-13-27-23(18)33-17-4-2-3-15(9-17)28-14-30/h2-4,9-11,13-14,16,22H,5-8,12H2,1H3,(H,28,30)
InChIKeyVZLGPBZINOLOAL-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.11
Rot. Bonds9

About N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide

N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide (PubChem CID 130343852) has the molecular formula C23H24F2N4O4 and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide.

Molecular Properties

Compound NameN-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide
PubChem CID130343852
Molecular FormulaC23H24F2N4O4
Molecular Weight458.47 g/mol
Exact Mass458.18
IUPAC NameN-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide
SMILESCOc1cc2c(Oc3cccc(NC=O)c3)ncnc2cc1OC1CCN(CC(F)F)CC1
InChIInChI=1S/C23H24F2N4O4/c1-31-20-10-18-19(11-21(20)32-16-5-7-29(8-6-16)12-22(24)25)26-13-27-23(18)33-17-4-2-3-15(9-17)28-14-30/h2-4,9-11,13-14,16,22H,5-8,12H2,1H3,(H,28,30)
InChIKeyVZLGPBZINOLOAL-UHFFFAOYSA-N
XLogP4.11
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde
CID 76847933
1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one
CID 161033051
tert-butyl (3R)-3-[4-[3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-6-methoxyquinazolin-7-yl]oxypyrrolidine-1-carboxylate
CID 66877259
1-[3-(2,2-difluoroethyl)-1-phenylpyrazol-5-yl]-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 66900705
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
1-[4-[4-[3-(hydroxymethyl)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 155243048
1-[4-[4-[(3-chloro-2-fluorophenyl)methylamino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 167487568
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol
CID 137132890
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylic acid
CID 69435585
1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone
CID 10433617
1-[4-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128049

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide?
The IUPAC name of N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide (CID 130343852) is N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide.
What is the SMILES notation for N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide?
The canonical SMILES for N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide is COc1cc2c(Oc3cccc(NC=O)c3)ncnc2cc1OC1CCN(CC(F)F)CC1.
What is the InChIKey of N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide?
The InChIKey is VZLGPBZINOLOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4/c1-31-20-10-18-19(11-21(20)32-16-5-7-29(8-6-16)12-22(24)25)26-13-27-23(18)33-17-4-2-3-15(9-17)28-14-30/h2-4,9-11,13-14,16,22H,5-8,12H2,1H3,(H,28,30).
What are the key properties of N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide?
N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide has a molecular weight of 458.47 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide is sourced from PubChem (CID 130343852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).