N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

C19H17FN2O — CID 167777596

IUPACN-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESFc1ccc2nc(CNC3COCc4ccccc43)ccc2c1
InChIInChI=1S/C19H17FN2O/c20-15-6-8-18-13(9-15)5-7-16(22-18)10-21-19-12-23-11-14-3-1-2-4-17(14)19/h1-9,19,21H,10-12H2
InChIKeyNAFCROKUPZGCOS-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.73
Rot. Bonds3

About N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 167777596) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID167777596
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESFc1ccc2nc(CNC3COCc4ccccc43)ccc2c1
InChIInChI=1S/C19H17FN2O/c20-15-6-8-18-13(9-15)5-7-16(22-18)10-21-19-12-23-11-14-3-1-2-4-17(14)19/h1-9,19,21H,10-12H2
InChIKeyNAFCROKUPZGCOS-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 167777596) is N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is Fc1ccc2nc(CNC3COCc4ccccc43)ccc2c1.
What is the InChIKey of N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is NAFCROKUPZGCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-15-6-8-18-13(9-15)5-7-16(22-18)10-21-19-12-23-11-14-3-1-2-4-17(14)19/h1-9,19,21H,10-12H2.
What are the key properties of N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 308.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 167777596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).