N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide

C20H27N3O2 — CID 71925729

IUPACN-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(NCCCC(=O)N1CCN(CC2CC2)c2ccccc21)C1CC1
InChIInChI=1S/C20H27N3O2/c24-19(6-3-11-21-20(25)16-9-10-16)23-13-12-22(14-15-7-8-15)17-4-1-2-5-18(17)23/h1-2,4-5,15-16H,3,6-14H2,(H,21,25)
InChIKeyUYDMFDRUAOZNIT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.56
Rot. Bonds7

About N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 71925729) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID71925729
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(NCCCC(=O)N1CCN(CC2CC2)c2ccccc21)C1CC1
InChIInChI=1S/C20H27N3O2/c24-19(6-3-11-21-20(25)16-9-10-16)23-13-12-22(14-15-7-8-15)17-4-1-2-5-18(17)23/h1-2,4-5,15-16H,3,6-14H2,(H,21,25)
InChIKeyUYDMFDRUAOZNIT-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one
CID 119883796
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride
CID 119883795
N-[4-oxo-4-[(4S)-4-phenylazepan-1-yl]butyl]cyclopropanecarboxamide
CID 95174990
N-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 75424297
N-[4-(4-benzyl-1,4-diazepan-1-yl)-4-oxobutyl]cyclopropanecarboxamide
CID 46429504
5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 138028434
2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride
CID 119895842
methyl 4-(cyclopropylmethyl)-1-(3-sulfanylpropanoyl)-2,3-dihydroquinoxaline-6-carboxylate
CID 146676972
3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119895849
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 97023940
N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95293621

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide (CID 71925729) is N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide is O=C(NCCCC(=O)N1CCN(CC2CC2)c2ccccc21)C1CC1.
What is the InChIKey of N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is UYDMFDRUAOZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(6-3-11-21-20(25)16-9-10-16)23-13-12-22(14-15-7-8-15)17-4-1-2-5-18(17)23/h1-2,4-5,15-16H,3,6-14H2,(H,21,25).
What are the key properties of N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 71925729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).