2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide

C17H19FN4O2 — CID 129489636

IUPAC2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide
SMILESNC(=O)C[C@H]1CCCN(C(=O)c2cc3nccnc3cc2F)CC1
InChIInChI=1S/C17H19FN4O2/c18-13-10-15-14(20-4-5-21-15)9-12(13)17(24)22-6-1-2-11(3-7-22)8-16(19)23/h4-5,9-11H,1-3,6-8H2,(H2,19,23)/t11-/m0/s1
InChIKeyRDQMUTPTLYZFDB-NSHDSACASA-N
MW330.36 g/mol
LogP1.89
Rot. Bonds3

About 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide

2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide (PubChem CID 129489636) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide
PubChem CID129489636
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide
SMILESNC(=O)C[C@H]1CCCN(C(=O)c2cc3nccnc3cc2F)CC1
InChIInChI=1S/C17H19FN4O2/c18-13-10-15-14(20-4-5-21-15)9-12(13)17(24)22-6-1-2-11(3-7-22)8-16(19)23/h4-5,9-11H,1-3,6-8H2,(H2,19,23)/t11-/m0/s1
InChIKeyRDQMUTPTLYZFDB-NSHDSACASA-N
XLogP1.89
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide
CID 120963460
(7-fluoroquinoxalin-6-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 125139632
2-[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]azepan-4-yl]acetamide
CID 138008808
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide
CID 107026185
(3-amino-2,5-difluorophenyl)-(4-propylazepan-1-yl)methanone
CID 107121117
2-[1-(2,6-difluorobenzoyl)azepan-4-yl]acetic acid
CID 120950031
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701232
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392
(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 105387751
[3-(2-aminoethyl)piperidin-1-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771490

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide?
The IUPAC name of 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide (CID 129489636) is 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide.
What is the SMILES notation for 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide?
The canonical SMILES for 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide is NC(=O)C[C@H]1CCCN(C(=O)c2cc3nccnc3cc2F)CC1.
What is the InChIKey of 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide?
The InChIKey is RDQMUTPTLYZFDB-NSHDSACASA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-10-15-14(20-4-5-21-15)9-12(13)17(24)22-6-1-2-11(3-7-22)8-16(19)23/h4-5,9-11H,1-3,6-8H2,(H2,19,23)/t11-/m0/s1.
What are the key properties of 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide?
2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide has a molecular weight of 330.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide is sourced from PubChem (CID 129489636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).