7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine

C14H15FN2O — CID 167795055

IUPAC7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
SMILESFc1ccc2ccnc(NC[C@@H]3CCCO3)c2c1
InChIInChI=1S/C14H15FN2O/c15-11-4-3-10-5-6-16-14(13(10)8-11)17-9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9H2,(H,16,17)/t12-/m0/s1
InChIKeyRRITUZNDHORUOX-LBPRGKRZSA-N
MW246.28 g/mol
LogP2.96
Rot. Bonds3

About 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine

7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine (PubChem CID 167795055) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
PubChem CID167795055
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
SMILESFc1ccc2ccnc(NC[C@@H]3CCCO3)c2c1
InChIInChI=1S/C14H15FN2O/c15-11-4-3-10-5-6-16-14(13(10)8-11)17-9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9H2,(H,16,17)/t12-/m0/s1
InChIKeyRRITUZNDHORUOX-LBPRGKRZSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 3553984
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
N-[2-(oxolan-2-yl)ethyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537856
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
5-fluoro-2-(oxan-2-ylmethylamino)benzonitrile
CID 63674808
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826
4-N-(2,4-difluorophenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 23481630

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine?
The IUPAC name of 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine (CID 167795055) is 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine?
The canonical SMILES for 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine is Fc1ccc2ccnc(NC[C@@H]3CCCO3)c2c1.
What is the InChIKey of 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine?
The InChIKey is RRITUZNDHORUOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-11-4-3-10-5-6-16-14(13(10)8-11)17-9-12-2-1-7-18-12/h3-6,8,12H,1-2,7,9H2,(H,16,17)/t12-/m0/s1.
What are the key properties of 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine?
7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine has a molecular weight of 246.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine is sourced from PubChem (CID 167795055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).