3-(7-fluoroquinazolin-2-yl)propan-1-amine

C11H12FN3 — CID 105457309

IUPAC3-(7-fluoroquinazolin-2-yl)propan-1-amine
SMILESNCCCc1ncc2ccc(F)cc2n1
InChIInChI=1S/C11H12FN3/c12-9-4-3-8-7-14-11(2-1-5-13)15-10(8)6-9/h3-4,6-7H,1-2,5,13H2
InChIKeyCWBPCVGULGJQIF-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.66
Rot. Bonds3

About 3-(7-fluoroquinazolin-2-yl)propan-1-amine

3-(7-fluoroquinazolin-2-yl)propan-1-amine (PubChem CID 105457309) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-(7-fluoroquinazolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-fluoroquinazolin-2-yl)propan-1-amine
PubChem CID105457309
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-(7-fluoroquinazolin-2-yl)propan-1-amine
SMILESNCCCc1ncc2ccc(F)cc2n1
InChIInChI=1S/C11H12FN3/c12-9-4-3-8-7-14-11(2-1-5-13)15-10(8)6-9/h3-4,6-7H,1-2,5,13H2
InChIKeyCWBPCVGULGJQIF-UHFFFAOYSA-N
XLogP1.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoroquinazolin-2-yl)ethanamine
CID 105444824
2-bromo-7-fluoroquinazoline
CID 105484272
1-(7-fluoroquinazolin-2-yl)ethanamine
CID 105444819
3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 43305639
2-[difluoro-(4-fluorophenyl)methyl]-7-fluoroquinazoline
CID 141442332
2-tert-butyl-7-fluoroquinazoline
CID 59743754
3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106695
3-(8-chloroquinazolin-2-yl)propan-1-amine
CID 105478668
3-(5-fluorobenzotriazol-2-yl)propan-1-amine
CID 83968896
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
CID 116898107
7-chloro-2-ethylquinazoline
CID 167510442

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoroquinazolin-2-yl)propan-1-amine?
The IUPAC name of 3-(7-fluoroquinazolin-2-yl)propan-1-amine (CID 105457309) is 3-(7-fluoroquinazolin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(7-fluoroquinazolin-2-yl)propan-1-amine?
The canonical SMILES for 3-(7-fluoroquinazolin-2-yl)propan-1-amine is NCCCc1ncc2ccc(F)cc2n1.
What is the InChIKey of 3-(7-fluoroquinazolin-2-yl)propan-1-amine?
The InChIKey is CWBPCVGULGJQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-9-4-3-8-7-14-11(2-1-5-13)15-10(8)6-9/h3-4,6-7H,1-2,5,13H2.
What are the key properties of 3-(7-fluoroquinazolin-2-yl)propan-1-amine?
3-(7-fluoroquinazolin-2-yl)propan-1-amine has a molecular weight of 205.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoroquinazolin-2-yl)propan-1-amine is sourced from PubChem (CID 105457309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).