2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine

C19H18FN3O — CID 2928261

IUPAC2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H18FN3O/c20-16-9-3-1-7-14(16)19-22-17-10-4-2-8-15(17)18(23-19)21-12-13-6-5-11-24-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,22,23)
InChIKeyAHDGGVHLFYUQKT-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.03
Rot. Bonds4

About 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine

2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine (PubChem CID 2928261) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
PubChem CID2928261
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccccc1-c1nc(NCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H18FN3O/c20-16-9-3-1-7-14(16)19-22-17-10-4-2-8-15(17)18(23-19)21-12-13-6-5-11-24-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,22,23)
InChIKeyAHDGGVHLFYUQKT-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
3-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 92750080
3-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 92750081
2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol
CID 123240505
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431777
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
2-(3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 1318726
N-(oxolan-2-ylmethyl)-11H-indolo[3,2-c]quinolin-6-amine
CID 90670027

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine (CID 2928261) is 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine is Fc1ccccc1-c1nc(NCC2CCCO2)c2ccccc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is AHDGGVHLFYUQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-9-3-1-7-14(16)19-22-17-10-4-2-8-15(17)18(23-19)21-12-13-6-5-11-24-13/h1-4,7-10,13H,5-6,11-12H2,(H,21,22,23).
What are the key properties of 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 323.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 2928261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).