N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine

C20H21FN4O — CID 67101729

IUPACN-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine
SMILESCc1ccc(OC2CCNCC2)c2nc(Nc3cccc(F)c3)ncc12
InChIInChI=1S/C20H21FN4O/c1-13-5-6-18(26-16-7-9-22-10-8-16)19-17(13)12-23-20(25-19)24-15-4-2-3-14(21)11-15/h2-6,11-12,16,22H,7-10H2,1H3,(H,23,24,25)
InChIKeyHPCSVAYJWPUZGS-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.95
Rot. Bonds4

About N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine

N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 67101729) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID67101729
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine
SMILESCc1ccc(OC2CCNCC2)c2nc(Nc3cccc(F)c3)ncc12
InChIInChI=1S/C20H21FN4O/c1-13-5-6-18(26-16-7-9-22-10-8-16)19-17(13)12-23-20(25-19)24-15-4-2-3-14(21)11-15/h2-6,11-12,16,22H,7-10H2,1H3,(H,23,24,25)
InChIKeyHPCSVAYJWPUZGS-UHFFFAOYSA-N
XLogP3.95
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine (CID 67101729) is N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine is Cc1ccc(OC2CCNCC2)c2nc(Nc3cccc(F)c3)ncc12.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is HPCSVAYJWPUZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13-5-6-18(26-16-7-9-22-10-8-16)19-17(13)12-23-20(25-19)24-15-4-2-3-14(21)11-15/h2-6,11-12,16,22H,7-10H2,1H3,(H,23,24,25).
What are the key properties of N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine?
N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 352.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 67101729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).