tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate

C29H34N6O4 — CID 71526371

IUPACtert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate
SMILESCNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3ccc(NC(=O)OC(C)(C)C)nc3)nc2c1
InChIInChI=1S/C29H34N6O4/c1-29(2,3)39-28(36)34-27-10-7-19(17-32-27)26-18-31-24-9-8-20(15-25(24)33-26)35(12-11-30-4)21-13-22(37-5)16-23(14-21)38-6/h7-10,13-18,30H,11-12H2,1-6H3,(H,32,34,36)
InChIKeyDSOUIOGIPHRUER-UHFFFAOYSA-N
MW530.63 g/mol
LogP5.41
Rot. Bonds9

About tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate

tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate (PubChem CID 71526371) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate
PubChem CID71526371
Molecular FormulaC29H34N6O4
Molecular Weight530.63 g/mol
Exact Mass530.26
IUPAC Nametert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate
SMILESCNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3ccc(NC(=O)OC(C)(C)C)nc3)nc2c1
InChIInChI=1S/C29H34N6O4/c1-29(2,3)39-28(36)34-27-10-7-19(17-32-27)26-18-31-24-9-8-20(15-25(24)33-26)35(12-11-30-4)21-13-22(37-5)16-23(14-21)38-6/h7-10,13-18,30H,11-12H2,1-6H3,(H,32,34,36)
InChIKeyDSOUIOGIPHRUER-UHFFFAOYSA-N
XLogP5.41
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide
CID 163691887
tert-butyl N-[5-[[4-[7-[N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]pyridine-2-carbonyl]amino]pentyl]carbamate
CID 123622665
tert-butyl 5-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]pentanoate
CID 153180333
N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;hydrochloride
CID 134138981
2-(N-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol
CID 161085486
4-[7-[N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-N-methylpyridine-2-carboxamide
CID 123165019
tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 89447462
2-(3,5-dimethoxy-N-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]anilino)-N-pyridin-2-ylacetamide
CID 122644159
N-but-3-ynyl-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
CID 122644046
methyl 6-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)hexanoate
CID 156768545
N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide
CID 67467276
tert-butyl N-[5-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-2-pyridinyl]carbamate
CID 118655099

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate (CID 71526371) is tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate is CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3ccc(NC(=O)OC(C)(C)C)nc3)nc2c1.
What is the InChIKey of tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate?
The InChIKey is DSOUIOGIPHRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4/c1-29(2,3)39-28(36)34-27-10-7-19(17-32-27)26-18-31-24-9-8-20(15-25(24)33-26)35(12-11-30-4)21-13-22(37-5)16-23(14-21)38-6/h7-10,13-18,30H,11-12H2,1-6H3,(H,32,34,36).
What are the key properties of tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate?
tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate has a molecular weight of 530.63 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 71526371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).