2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide

C22H29N5O — CID 3818685

IUPAC2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)NC(C)CCCC(C)C)c2nc3ccccc3nc21
InChIInChI=1S/C22H29N5O/c1-5-13-27-20(23)18(22(28)24-15(4)10-8-9-14(2)3)19-21(27)26-17-12-7-6-11-16(17)25-19/h5-7,11-12,14-15H,1,8-10,13,23H2,2-4H3,(H,24,28)
InChIKeyGYJQRGBWOXNICC-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.30
Rot. Bonds8

About 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 3818685) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID3818685
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)NC(C)CCCC(C)C)c2nc3ccccc3nc21
InChIInChI=1S/C22H29N5O/c1-5-13-27-20(23)18(22(28)24-15(4)10-8-9-14(2)3)19-21(27)26-17-12-7-6-11-16(17)25-19/h5-7,11-12,14-15H,1,8-10,13,23H2,2-4H3,(H,24,28)
InChIKeyGYJQRGBWOXNICC-UHFFFAOYSA-N
XLogP4.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 7707899
2-amino-1-[2-(4-methoxyphenyl)ethyl]-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 41027235
2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659479
methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 705178
2-amino-1-(3-chlorophenyl)-N-(6-methylheptan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3914627
[(2R)-butan-2-yl] 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 944403
2-amino-1-(1,3-benzodioxol-5-yl)-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2002761
2-amino-1-pentyl-N-(4-phenylbutan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3987179
2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 918932
2-amino-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2020548
2-amino-N-(3-methylbutyl)-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2034456
2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 40589200

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 3818685) is 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide is C=CCn1c(N)c(C(=O)NC(C)CCCC(C)C)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is GYJQRGBWOXNICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-5-13-27-20(23)18(22(28)24-15(4)10-8-9-14(2)3)19-21(27)26-17-12-7-6-11-16(17)25-19/h5-7,11-12,14-15H,1,8-10,13,23H2,2-4H3,(H,24,28).
What are the key properties of 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 3818685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).