2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide

C22H24FN5O3 — CID 59325283

IUPAC2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide
SMILESO=C(NCCO)c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1
InChIInChI=1S/C22H24FN5O3/c23-15-2-1-3-16(11-15)27-22-26-13-14-10-18(21(30)25-8-9-29)20(12-19(14)28-22)31-17-4-6-24-7-5-17/h1-3,10-13,17,24,29H,4-9H2,(H,25,30)(H,26,27,28)
InChIKeySCWHTKPTSMWYCZ-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.37
Rot. Bonds7

About 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide

2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide (PubChem CID 59325283) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide
PubChem CID59325283
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide
SMILESO=C(NCCO)c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1
InChIInChI=1S/C22H24FN5O3/c23-15-2-1-3-16(11-15)27-22-26-13-14-10-18(21(30)25-8-9-29)20(12-19(14)28-22)31-17-4-6-24-7-5-17/h1-3,10-13,17,24,29H,4-9H2,(H,25,30)(H,26,27,28)
InChIKeySCWHTKPTSMWYCZ-UHFFFAOYSA-N
XLogP2.37
TPSA108.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide (CID 59325283) is 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide is O=C(NCCO)c1cc2cnc(Nc3cccc(F)c3)nc2cc1OC1CCNCC1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide?
The InChIKey is SCWHTKPTSMWYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c23-15-2-1-3-16(11-15)27-22-26-13-14-10-18(21(30)25-8-9-29)20(12-19(14)28-22)31-17-4-6-24-7-5-17/h1-3,10-13,17,24,29H,4-9H2,(H,25,30)(H,26,27,28).
What are the key properties of 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide?
2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-(2-hydroxyethyl)-7-piperidin-4-yloxyquinazoline-6-carboxamide is sourced from PubChem (CID 59325283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).