N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide

C19H17FN4O — CID 159450912

IUPACN-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2F)c2c1-c1ncccc1CC2
InChIInChI=1S/C19H17FN4O/c1-24-18-14(9-8-12-6-4-10-21-16(12)18)17(23-24)19(25)22-11-13-5-2-3-7-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyLTJCVMVIADYHII-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.65
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide (PubChem CID 159450912) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide
PubChem CID159450912
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2F)c2c1-c1ncccc1CC2
InChIInChI=1S/C19H17FN4O/c1-24-18-14(9-8-12-6-4-10-21-16(12)18)17(23-24)19(25)22-11-13-5-2-3-7-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyLTJCVMVIADYHII-UHFFFAOYSA-N
XLogP2.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26220766
N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954009
N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754
N-[(2-fluorophenyl)methyl]-5-(3-hydroxypropylamino)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164628
1-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39272234
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[(2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165304
(5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 31018364
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46489598
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084859
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide (CID 159450912) is N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2F)c2c1-c1ncccc1CC2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide?
The InChIKey is LTJCVMVIADYHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-24-18-14(9-8-12-6-4-10-21-16(12)18)17(23-24)19(25)22-11-13-5-2-3-7-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide is sourced from PubChem (CID 159450912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).