N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide

C19H16FN3O — CID 167766096

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C19H16FN3O/c20-16-4-6-17-13(8-16)3-5-18(23-17)19(24)22-9-12-1-2-14-10-21-11-15(14)7-12/h1-8,21H,9-11H2,(H,22,24)
InChIKeyPNNXFCOWAKZYQN-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.91
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide (PubChem CID 167766096) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide
PubChem CID167766096
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C19H16FN3O/c20-16-4-6-17-13(8-16)3-5-18(23-17)19(24)22-9-12-1-2-14-10-21-11-15(14)7-12/h1-8,21H,9-11H2,(H,22,24)
InChIKeyPNNXFCOWAKZYQN-UHFFFAOYSA-N
XLogP2.91
TPSA54.02 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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide
CID 167913641
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
CID 105062382
5-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-2-carboxamide
CID 105062322
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464446
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
CID 110464430
methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate
CID 110464431
6-fluoro-N-pentylquinoline-2-carboxamide
CID 110486389
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
CID 105357655
3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
CID 105062320
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide (CID 167766096) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide is O=C(NCc1ccc2c(c1)CNC2)c1ccc2cc(F)ccc2n1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide?
The InChIKey is PNNXFCOWAKZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-16-4-6-17-13(8-16)3-5-18(23-17)19(24)22-9-12-1-2-14-10-21-11-15(14)7-12/h1-8,21H,9-11H2,(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide is sourced from PubChem (CID 167766096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).