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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Related Compounds

prop-2-ynyl N-(4-aminocyclohexyl)carbamate
CID 130606195
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridine-3-carboxamide
CID 156673154
2-methoxy-N-[4-[[7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-5-yl]amino]cyclohexyl]acetamide
CID 169044712
6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide
CID 156630311
prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460440
8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
CID 156673091
4-(7-aminoquinoxalin-5-yl)oxycyclohexane-1-carboxylic acid;8-[4-[(6-chloropyridazin-3-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;methyl 4-(7-aminoquinoxalin-5-yl)oxycyclohexane-1-carboxylate;8-[4-[(6-methylpyrazin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-6-amine;5-N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-5,7-diamine
CID 160648965
8-[4-[(6-chloropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;methyl 5-[[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]amino]pyrazine-2-carboxylate;8-[4-(pyrazin-2-ylamino)cyclohexyl]oxyquinoxalin-6-amine;8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-6-amine
CID 158838158
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
CID 156673135
N-[4-[(7-aminoquinoxalin-5-yl)methyl]cyclohexyl]methanesulfonamide
CID 159711538

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).