6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline

C13H14FN3 — CID 105489460

IUPAC6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
SMILESFc1ccc2nc(CC3CCNC3)ncc2c1
InChIInChI=1S/C13H14FN3/c14-11-1-2-12-10(6-11)8-16-13(17-12)5-9-3-4-15-7-9/h1-2,6,8-9,15H,3-5,7H2
InChIKeyWRGJCCWHGYCGAB-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.92
Rot. Bonds2

About 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline

6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline (PubChem CID 105489460) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline.

Molecular Properties

Compound Name6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
PubChem CID105489460
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
SMILESFc1ccc2nc(CC3CCNC3)ncc2c1
InChIInChI=1S/C13H14FN3/c14-11-1-2-12-10(6-11)8-16-13(17-12)5-9-3-4-15-7-9/h1-2,6,8-9,15H,3-5,7H2
InChIKeyWRGJCCWHGYCGAB-UHFFFAOYSA-N
XLogP1.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
CID 139490791
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84786764
3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 84790383
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 55232173
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
5-chloro-4-cyclopropyloxy-2-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
CID 160653730
2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine
CID 141198481
2-(azetidin-3-ylmethyl)-5-fluoropyrimidine
CID 153394006
N-[4-[(3S)-3-[(6-fluoroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 162185028
2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol
CID 117231420

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline?
The IUPAC name of 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline (CID 105489460) is 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline.
What is the SMILES notation for 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline?
The canonical SMILES for 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline is Fc1ccc2nc(CC3CCNC3)ncc2c1.
What is the InChIKey of 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline?
The InChIKey is WRGJCCWHGYCGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-11-1-2-12-10(6-11)8-16-13(17-12)5-9-3-4-15-7-9/h1-2,6,8-9,15H,3-5,7H2.
What are the key properties of 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline?
6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline has a molecular weight of 231.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline is sourced from PubChem (CID 105489460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).