1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide

C19H16FN3O — CID 71679299

IUPAC1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NC2CC2)c2ccc(-c3cccc(F)c3)cc12
InChIInChI=1S/C19H16FN3O/c20-13-3-1-2-11(8-13)12-4-7-15-16(9-12)18(21)22-10-17(15)19(24)23-14-5-6-14/h1-4,7-10,14H,5-6H2,(H2,21,22)(H,23,24)
InChIKeyBYINOGHRZNQCDU-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.52
Rot. Bonds3

About 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide

1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide (PubChem CID 71679299) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide
PubChem CID71679299
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NC2CC2)c2ccc(-c3cccc(F)c3)cc12
InChIInChI=1S/C19H16FN3O/c20-13-3-1-2-11(8-13)12-4-7-15-16(9-12)18(21)22-10-17(15)19(24)23-14-5-6-14/h1-4,7-10,14H,5-6H2,(H2,21,22)(H,23,24)
InChIKeyBYINOGHRZNQCDU-UHFFFAOYSA-N
XLogP3.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide (CID 71679299) is 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide is Nc1ncc(C(=O)NC2CC2)c2ccc(-c3cccc(F)c3)cc12.
What is the InChIKey of 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide?
The InChIKey is BYINOGHRZNQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-13-3-1-2-11(8-13)12-4-7-15-16(9-12)18(21)22-10-17(15)19(24)23-14-5-6-14/h1-4,7-10,14H,5-6H2,(H2,21,22)(H,23,24).
What are the key properties of 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide?
1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopropyl-7-(3-fluorophenyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 71679299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).