prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate

C18H21N5O2 — CID 156672987

IUPACprop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate
SMILESC#CCOC(=O)NC1CCC(Nc2cc(N)cc3nccnc23)CC1
InChIInChI=1S/C18H21N5O2/c1-2-9-25-18(24)23-14-5-3-13(4-6-14)22-16-11-12(19)10-15-17(16)21-8-7-20-15/h1,7-8,10-11,13-14,22H,3-6,9,19H2,(H,23,24)
InChIKeyOIXMUFMPDXYDKY-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.29
Rot. Bonds4

About prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate

prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate (PubChem CID 156672987) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate
PubChem CID156672987
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Nameprop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate
SMILESC#CCOC(=O)NC1CCC(Nc2cc(N)cc3nccnc23)CC1
InChIInChI=1S/C18H21N5O2/c1-2-9-25-18(24)23-14-5-3-13(4-6-14)22-16-11-12(19)10-15-17(16)21-8-7-20-15/h1,7-8,10-11,13-14,22H,3-6,9,19H2,(H,23,24)
InChIKeyOIXMUFMPDXYDKY-UHFFFAOYSA-N
XLogP2.29
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate?
The IUPAC name of prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate (CID 156672987) is prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate is C#CCOC(=O)NC1CCC(Nc2cc(N)cc3nccnc23)CC1.
What is the InChIKey of prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate?
The InChIKey is OIXMUFMPDXYDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-9-25-18(24)23-14-5-3-13(4-6-14)22-16-11-12(19)10-15-17(16)21-8-7-20-15/h1,7-8,10-11,13-14,22H,3-6,9,19H2,(H,23,24).
What are the key properties of prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate?
prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate has a molecular weight of 339.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 156672987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).