N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine

C25H30N4O2 — CID 146244316

IUPACN-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(C/C=C\N(C)C)nc3c2)c1
InChIInChI=1S/C25H30N4O2/c1-28(2)11-5-6-19-16-26-24-10-9-20(14-25(24)27-19)29(17-18-7-8-18)21-12-22(30-3)15-23(13-21)31-4/h5,9-16,18H,6-8,17H2,1-4H3/b11-5-
InChIKeyCLAOOTPSIGMDDI-WZUFQYTHSA-N
MW418.54 g/mol
LogP4.81
Rot. Bonds9

About N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine

N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine (PubChem CID 146244316) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine
PubChem CID146244316
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(C/C=C\N(C)C)nc3c2)c1
InChIInChI=1S/C25H30N4O2/c1-28(2)11-5-6-19-16-26-24-10-9-20(14-25(24)27-19)29(17-18-7-8-18)21-12-22(30-3)15-23(13-21)31-4/h5,9-16,18H,6-8,17H2,1-4H3/b11-5-
InChIKeyCLAOOTPSIGMDDI-WZUFQYTHSA-N
XLogP4.81
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)quinoxalin-6-amine
CID 71526005
3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine
CID 163890435
ethyl 2-[[3-amino-2-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]prop-2-enylidene]amino]acetate
CID 173466804
2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 89447210
N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-imino-3-[(1-methylpiperidin-4-yl)methylimino]propan-2-yl]quinoxalin-6-amine
CID 123841620
CID 88888571
CID 88888571
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
N-[3-(aminomethyl)-5-methoxyphenyl]-N-(cyclopropylmethyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
CID 118014689
3-[[3-(2-iminoethyl)quinoxalin-6-yl]-[3-(3-methylpyrrolidin-1-yl)propyl]amino]-5-methoxyphenol
CID 138648346
N'-(3,5-dimethoxyphenyl)-N'-[3-[[methyl-(4-methylpiperazin-1-yl)amino]methyl]quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 146244325
5-[cyclopropylmethyl-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]amino]benzene-1,3-diol
CID 122644156
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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine (CID 146244316) is N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine is COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(C/C=C\N(C)C)nc3c2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine?
The InChIKey is CLAOOTPSIGMDDI-WZUFQYTHSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-28(2)11-5-6-19-16-26-24-10-9-20(14-25(24)27-19)29(17-18-7-8-18)21-12-22(30-3)15-23(13-21)31-4/h5,9-16,18H,6-8,17H2,1-4H3/b11-5-.
What are the key properties of N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine?
N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine has a molecular weight of 418.54 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[(Z)-3-(dimethylamino)prop-2-enyl]quinoxalin-6-amine is sourced from PubChem (CID 146244316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).