6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline

C18H21F2N3O — CID 174284643

IUPAC6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline
SMILESFC1(F)CCN(Cc2ccc3nc(C4CCOCC4)ncc3c2)C1
InChIInChI=1S/C18H21F2N3O/c19-18(20)5-6-23(12-18)11-13-1-2-16-15(9-13)10-21-17(22-16)14-3-7-24-8-4-14/h1-2,9-10,14H,3-8,11-12H2
InChIKeyNYRNDIPBDKOLKK-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.36
Rot. Bonds3

About 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline

6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline (PubChem CID 174284643) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline.

Molecular Properties

Compound Name6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline
PubChem CID174284643
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline
SMILESFC1(F)CCN(Cc2ccc3nc(C4CCOCC4)ncc3c2)C1
InChIInChI=1S/C18H21F2N3O/c19-18(20)5-6-23(12-18)11-13-1-2-16-15(9-13)10-21-17(22-16)14-3-7-24-8-4-14/h1-2,9-10,14H,3-8,11-12H2
InChIKeyNYRNDIPBDKOLKK-UHFFFAOYSA-N
XLogP3.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174284496
3-[6-[(3S)-1-[[2-(oxan-4-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707886
3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one
CID 174207046
3-[(3,3-difluoropyrrolidin-1-yl)methyl]benzoic acid;hydrochloride
CID 137332046
5-cyclopropyl-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2-oxazole
CID 163350927
3,3-difluoro-1-[(4-nitrophenyl)methyl]pyrrolidine
CID 59410316
[2-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92639531
2-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazole
CID 59331223
2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline
CID 141144096
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline
CID 170707974

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline?
The IUPAC name of 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline (CID 174284643) is 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline.
What is the SMILES notation for 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline?
The canonical SMILES for 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline is FC1(F)CCN(Cc2ccc3nc(C4CCOCC4)ncc3c2)C1.
What is the InChIKey of 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline?
The InChIKey is NYRNDIPBDKOLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c19-18(20)5-6-23(12-18)11-13-1-2-16-15(9-13)10-21-17(22-16)14-3-7-24-8-4-14/h1-2,9-10,14H,3-8,11-12H2.
What are the key properties of 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline?
6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline has a molecular weight of 333.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline is sourced from PubChem (CID 174284643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).