3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one

C22H27N3O — CID 119895849

IUPAC3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(CC2CC2)c2ccccc21)C(N)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-16(21(23)18-7-3-2-4-8-18)22(26)25-14-13-24(15-17-11-12-17)19-9-5-6-10-20(19)25/h2-10,16-17,21H,11-15,23H2,1H3
InChIKeyFCFBEKIZUNPJFB-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.59
Rot. Bonds5

About 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one

3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one (PubChem CID 119895849) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
PubChem CID119895849
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(CC2CC2)c2ccccc21)C(N)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-16(21(23)18-7-3-2-4-8-18)22(26)25-14-13-24(15-17-11-12-17)19-9-5-6-10-20(19)25/h2-10,16-17,21H,11-15,23H2,1H3
InChIKeyFCFBEKIZUNPJFB-UHFFFAOYSA-N
XLogP3.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride
CID 119895842
[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea
CID 71868713
1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119895862
3-amino-2-methyl-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119733408
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119859689
3-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 80551725
3-amino-1-(3-benzylpyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119725030
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one (CID 119895849) is 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one is CC(C(=O)N1CCN(CC2CC2)c2ccccc21)C(N)c1ccccc1.
What is the InChIKey of 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one?
The InChIKey is FCFBEKIZUNPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16(21(23)18-7-3-2-4-8-18)22(26)25-14-13-24(15-17-11-12-17)19-9-5-6-10-20(19)25/h2-10,16-17,21H,11-15,23H2,1H3.
What are the key properties of 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one?
3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one has a molecular weight of 349.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 119895849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).