N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide

C17H17FN4O — CID 144566463

IUPACN-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide
SMILESCc1cc(-c2cccc3nc(C)c(F)nc23)[nH]c1CCNC=O
InChIInChI=1S/C17H17FN4O/c1-10-8-15(21-13(10)6-7-19-9-23)12-4-3-5-14-16(12)22-17(18)11(2)20-14/h3-5,8-9,21H,6-7H2,1-2H3,(H,19,23)
InChIKeyHAWVLMJFHGLCCG-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.67
Rot. Bonds5

About N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide

N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide (PubChem CID 144566463) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide
PubChem CID144566463
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide
SMILESCc1cc(-c2cccc3nc(C)c(F)nc23)[nH]c1CCNC=O
InChIInChI=1S/C17H17FN4O/c1-10-8-15(21-13(10)6-7-19-9-23)12-4-3-5-14-16(12)22-17(18)11(2)20-14/h3-5,8-9,21H,6-7H2,1-2H3,(H,19,23)
InChIKeyHAWVLMJFHGLCCG-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[2-[3-methyl-5-[2-methyl-3-(methylamino)quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide;2-methylpropane
CID 144566553
N-methyl-N-[2-[3-methyl-5-[2-methyl-3-[[(E,2S)-pent-3-en-2-yl]amino]quinoxalin-5-yl]-1H-pyrrol-2-yl]ethyl]formamide
CID 144566475
(7S)-2-(3-fluoro-2-methylquinoxalin-5-yl)-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035219
7-[(2R)-4-azido-2-methylbutyl]-2-(3-fluoro-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035100
7-(4-azido-3-methylbutyl)-2-(3-fluoro-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90035119
2-(3-fluoro-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]propanoate;hydrochloride
CID 158087256
tert-butyl 2-(3-fluoro-2-methylquinoxalin-5-yl)-7-[(Z)-3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enyl]-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate
CID 90035484
2-[3-[[(E)-but-2-enyl]amino]-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 144566495
2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
CID 136508628
2,5-dimethylquinoline-3-carbaldehyde
CID 163549311
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide
CID 59286194
7-but-2-ynyl-2-[3-(but-2-ynylamino)-2-methylquinoxalin-5-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 144566559

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide?
The IUPAC name of N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide (CID 144566463) is N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide?
The canonical SMILES for N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide is Cc1cc(-c2cccc3nc(C)c(F)nc23)[nH]c1CCNC=O.
What is the InChIKey of N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide?
The InChIKey is HAWVLMJFHGLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-10-8-15(21-13(10)6-7-19-9-23)12-4-3-5-14-16(12)22-17(18)11(2)20-14/h3-5,8-9,21H,6-7H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide?
N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide has a molecular weight of 312.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-fluoro-2-methylquinoxalin-5-yl)-3-methyl-1H-pyrrol-2-yl]ethyl]formamide is sourced from PubChem (CID 144566463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).