N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide

C15H15FN2O — CID 138058275

IUPACN-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide
SMILESC[C@@H](NC(=O)c1c(F)ccc2ccncc12)C1CC1
InChIInChI=1S/C15H15FN2O/c1-9(10-2-3-10)18-15(19)14-12-8-17-7-6-11(12)4-5-13(14)16/h4-10H,2-3H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyQDHVSXQPOSSHKZ-SECBINFHSA-N
MW258.30 g/mol
LogP2.90
Rot. Bonds3

About N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide

N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide (PubChem CID 138058275) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide
PubChem CID138058275
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide
SMILESC[C@@H](NC(=O)c1c(F)ccc2ccncc12)C1CC1
InChIInChI=1S/C15H15FN2O/c1-9(10-2-3-10)18-15(19)14-12-8-17-7-6-11(12)4-5-13(14)16/h4-10H,2-3H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyQDHVSXQPOSSHKZ-SECBINFHSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115769013
7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide
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N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
N-(1-cyclopropylethyl)-1,2-oxazole-5-carboxamide
CID 130718675
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203367
1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea
CID 47133216
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 113240764
5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65373055
N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
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CID 62405432

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide (CID 138058275) is N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide is C[C@@H](NC(=O)c1c(F)ccc2ccncc12)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide?
The InChIKey is QDHVSXQPOSSHKZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9(10-2-3-10)18-15(19)14-12-8-17-7-6-11(12)4-5-13(14)16/h4-10H,2-3H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide?
N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-7-fluoroisoquinoline-8-carboxamide is sourced from PubChem (CID 138058275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).