N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine

C26H32N4O3 — CID 71526005

IUPACN-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(CCN4CCOCC4)nc3c2)c1
InChIInChI=1S/C26H32N4O3/c1-31-23-13-22(14-24(16-23)32-2)30(18-19-3-4-19)21-5-6-25-26(15-21)28-20(17-27-25)7-8-29-9-11-33-12-10-29/h5-6,13-17,19H,3-4,7-12,18H2,1-2H3
InChIKeyYHWNPYJCDDOBJM-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.07
Rot. Bonds9

About N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine

N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine (PubChem CID 71526005) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine
PubChem CID71526005
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(CCN4CCOCC4)nc3c2)c1
InChIInChI=1S/C26H32N4O3/c1-31-23-13-22(14-24(16-23)32-2)30(18-19-3-4-19)21-5-6-25-26(15-21)28-20(17-27-25)7-8-29-9-11-33-12-10-29/h5-6,13-17,19H,3-4,7-12,18H2,1-2H3
InChIKeyYHWNPYJCDDOBJM-UHFFFAOYSA-N
XLogP4.07
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine
CID 146244316
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287
N-[3-(aminomethyl)-5-methoxyphenyl]-N-(cyclopropylmethyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
CID 118014689
3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine
CID 163890435
CID 88888571
CID 88888571
N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-imino-3-[(1-methylpiperidin-4-yl)methylimino]propan-2-yl]quinoxalin-6-amine
CID 123841620
N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
CID 159683053
1-[[3-amino-2-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]prop-2-enylidene]amino]-3-piperidin-1-ylpropan-2-ol
CID 152991268
2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 89447210
N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 134486867
ethyl 2-[[3-amino-2-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]prop-2-enylidene]amino]acetate
CID 173466804
N-(3,5-dimethoxyphenyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 89447288

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine (CID 71526005) is N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(CCN4CCOCC4)nc3c2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine?
The InChIKey is YHWNPYJCDDOBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-31-23-13-22(14-24(16-23)32-2)30(18-19-3-4-19)21-5-6-25-26(15-21)28-20(17-27-25)7-8-29-9-11-33-12-10-29/h5-6,13-17,19H,3-4,7-12,18H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine?
N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine has a molecular weight of 448.57 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine is sourced from PubChem (CID 71526005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).