2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine

C20H29N5O — CID 58816501

IUPAC2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine
SMILESCCC(CC)Nc1nc2c(nc1OC)-c1c(C)cc(N(C)C)nc1CC2
InChIInChI=1S/C20H29N5O/c1-7-13(8-2)21-19-20(26-6)24-18-15(23-19)10-9-14-17(18)12(3)11-16(22-14)25(4)5/h11,13H,7-10H2,1-6H3,(H,21,23)
InChIKeyZEDPQAOYZOIUJJ-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.62
Rot. Bonds6

About 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine

2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine (PubChem CID 58816501) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine.

Molecular Properties

Compound Name2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine
PubChem CID58816501
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine
SMILESCCC(CC)Nc1nc2c(nc1OC)-c1c(C)cc(N(C)C)nc1CC2
InChIInChI=1S/C20H29N5O/c1-7-13(8-2)21-19-20(26-6)24-18-15(23-19)10-9-14-17(18)12(3)11-16(22-14)25(4)5/h11,13H,7-10H2,1-6H3,(H,21,23)
InChIKeyZEDPQAOYZOIUJJ-UHFFFAOYSA-N
XLogP3.62
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595034
N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
CID 10477928
5-(3,5-dichlorothiophen-2-yl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595026
5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22249149
3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 58804350
5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 58804528
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595046
5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 71168153
3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595047
5-[2-chloro-4-(trifluoromethyl)phenyl]-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine
CID 10179338
5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine
CID 58804411

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine?
The IUPAC name of 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine (CID 58816501) is 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine.
What is the SMILES notation for 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine?
The canonical SMILES for 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine is CCC(CC)Nc1nc2c(nc1OC)-c1c(C)cc(N(C)C)nc1CC2.
What is the InChIKey of 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine?
The InChIKey is ZEDPQAOYZOIUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-7-13(8-2)21-19-20(26-6)24-18-15(23-19)10-9-14-17(18)12(3)11-16(22-14)25(4)5/h11,13H,7-10H2,1-6H3,(H,21,23).
What are the key properties of 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine?
2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine has a molecular weight of 355.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-N,8-N,10-trimethyl-3-N-pentan-3-yl-5,6-dihydropyrido[3,2-f]quinoxaline-3,8-diamine is sourced from PubChem (CID 58816501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).