8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide

C18H16FN5O — CID 91002780

IUPAC8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide
SMILESCc1cccc(N(C)C(=O)c2[nH]nc3c2CCc2ncc(F)cc2-3)n1
InChIInChI=1S/C18H16FN5O/c1-10-4-3-5-15(21-10)24(2)18(25)17-12-6-7-14-13(16(12)22-23-17)8-11(19)9-20-14/h3-5,8-9H,6-7H2,1-2H3,(H,22,23)
InChIKeyHNYRWMACMQPCKZ-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.69
Rot. Bonds2

About 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide

8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide (PubChem CID 91002780) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide
PubChem CID91002780
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide
SMILESCc1cccc(N(C)C(=O)c2[nH]nc3c2CCc2ncc(F)cc2-3)n1
InChIInChI=1S/C18H16FN5O/c1-10-4-3-5-15(21-10)24(2)18(25)17-12-6-7-14-13(16(12)22-23-17)8-11(19)9-20-14/h3-5,8-9H,6-7H2,1-2H3,(H,22,23)
InChIKeyHNYRWMACMQPCKZ-UHFFFAOYSA-N
XLogP2.69
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide (CID 91002780) is 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide is Cc1cccc(N(C)C(=O)c2[nH]nc3c2CCc2ncc(F)cc2-3)n1.
What is the InChIKey of 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide?
The InChIKey is HNYRWMACMQPCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-10-4-3-5-15(21-10)24(2)18(25)17-12-6-7-14-13(16(12)22-23-17)8-11(19)9-20-14/h3-5,8-9H,6-7H2,1-2H3,(H,22,23).
What are the key properties of 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide?
8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-N-(6-methyl-2-pyridinyl)-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide is sourced from PubChem (CID 91002780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).