[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea

C16H22N4O2 — CID 71868713

IUPAC[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)N1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C16H22N4O2/c1-11(18-16(17)22)15(21)20-9-8-19(10-12-6-7-12)13-4-2-3-5-14(13)20/h2-5,11-12H,6-10H2,1H3,(H3,17,18,22)
InChIKeyHQDBKJHUQSRYDA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.31
Rot. Bonds4

About [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea

[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 71868713) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID71868713
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)N1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C16H22N4O2/c1-11(18-16(17)22)15(21)20-9-8-19(10-12-6-7-12)13-4-2-3-5-14(13)20/h2-5,11-12H,6-10H2,1H3,(H3,17,18,22)
InChIKeyHQDBKJHUQSRYDA-UHFFFAOYSA-N
XLogP1.31
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea with MolForge

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Related Compounds

1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119895862
3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119895849
2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride
CID 119895842
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 71925729
5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 138028434
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 122143241
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 139005573

Frequently Asked Questions

What is the IUPAC name of [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea (CID 71868713) is [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea is CC(NC(N)=O)C(=O)N1CCN(CC2CC2)c2ccccc21.
What is the InChIKey of [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is HQDBKJHUQSRYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(18-16(17)22)15(21)20-9-8-19(10-12-6-7-12)13-4-2-3-5-14(13)20/h2-5,11-12H,6-10H2,1H3,(H3,17,18,22).
What are the key properties of [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea?
[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 302.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 71868713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).