N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide

C16H16FN3O2 — CID 172885113

IUPACN-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C16H16FN3O2/c17-13-4-1-10(2-5-13)9-18-16(22)11-3-6-14-12(7-11)8-15(21)20-19-14/h1-2,4-5,8,11H,3,6-7,9H2,(H,18,22)(H,20,21)
InChIKeyLZRZNEZBYJSQRP-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.33
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide

N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide (PubChem CID 172885113) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
PubChem CID172885113
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C16H16FN3O2/c17-13-4-1-10(2-5-13)9-18-16(22)11-3-6-14-12(7-11)8-15(21)20-19-14/h1-2,4-5,8,11H,3,6-7,9H2,(H,18,22)(H,20,21)
InChIKeyLZRZNEZBYJSQRP-UHFFFAOYSA-N
XLogP1.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-N-benzyl-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
CID 129416494
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
(6S)-2-(4-acetylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109344
2-(4-acetylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 53188150
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 163295899
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
N-[2-(4-fluorophenyl)ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201125
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
1-(3,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191135
N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 110476602

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide (CID 172885113) is N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide is O=C(NCc1ccc(F)cc1)C1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide?
The InChIKey is LZRZNEZBYJSQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-4-1-10(2-5-13)9-18-16(22)11-3-6-14-12(7-11)8-15(21)20-19-14/h1-2,4-5,8,11H,3,6-7,9H2,(H,18,22)(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide is sourced from PubChem (CID 172885113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).