3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one

C17H22F2N2O2 — CID 123484264

IUPAC3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(OC(F)F)ccc2NC1CCCCCC1CC1
InChIInChI=1S/C17H22F2N2O2/c18-17(19)23-12-8-9-13-15(10-12)21-16(22)14(20-13)5-3-1-2-4-11-6-7-11/h8-11,14,17,20H,1-7H2,(H,21,22)
InChIKeyAAQXZDMPTQEUOT-UHFFFAOYSA-N
MW324.37 g/mol
LogP4.38
Rot. Bonds8

About 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one

3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 123484264) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID123484264
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(OC(F)F)ccc2NC1CCCCCC1CC1
InChIInChI=1S/C17H22F2N2O2/c18-17(19)23-12-8-9-13-15(10-12)21-16(22)14(20-13)5-3-1-2-4-11-6-7-11/h8-11,14,17,20H,1-7H2,(H,21,22)
InChIKeyAAQXZDMPTQEUOT-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Quinoxalinone deriv. 6k
CID 5327801
Quinoxalinone deriv. 6l
CID 5327802
(3S)-N-[(2S)-1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 8028026
N-[(3S)-1-[3-(trifluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
CID 53316987
N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
CID 53320893
2-[(4-Ethylcyclohexyl)formamido]-N-(3-methoxyphenyl)-3-methylbutanamide
CID 15987920
N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738634
(1R,2S,5R)-N-[2-[[(2R)-2-aminopropanoyl]amino]-4-methoxyphenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 44137216
3-(Trifluoromethoxy)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 45271531
6-Methoxy-1,2,3,4-tetrahydroquinoxalin-2-one
CID 79001962
6-Methoxy-4-methyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 80458834
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 61689949

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one (CID 123484264) is 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2cc(OC(F)F)ccc2NC1CCCCCC1CC1.
What is the InChIKey of 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is AAQXZDMPTQEUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c18-17(19)23-12-8-9-13-15(10-12)21-16(22)14(20-13)5-3-1-2-4-11-6-7-11/h8-11,14,17,20H,1-7H2,(H,21,22).
What are the key properties of 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one?
3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 324.37 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropylpentyl)-7-(difluoromethoxy)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 123484264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).