N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C21H21N5O2 — CID 155538985

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4cnn(C)c4)nc3c2)c(OC)c1
InChIInChI=1S/C21H21N5O2/c1-26-13-15(11-24-26)20-12-23-18-7-5-16(8-19(18)25-20)22-10-14-4-6-17(27-2)9-21(14)28-3/h4-9,11-13,22H,10H2,1-3H3
InChIKeyRDTRERNJNDGFIP-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.66
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 155538985) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
PubChem CID155538985
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4cnn(C)c4)nc3c2)c(OC)c1
InChIInChI=1S/C21H21N5O2/c1-26-13-15(11-24-26)20-12-23-18-7-5-16(8-19(18)25-20)22-10-14-4-6-17(27-2)9-21(14)28-3/h4-9,11-13,22H,10H2,1-3H3
InChIKeyRDTRERNJNDGFIP-UHFFFAOYSA-N
XLogP3.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122643973
N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine
CID 123551705
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N'-[(R)-(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]methyl]-N-propan-2-ylethane-1,2-diamine;methane;hydrochloride
CID 158783297
(Z)-3-(3,5-dimethoxyphenyl)-N,N-dimethyl-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]prop-2-en-1-amine;methane
CID 158730300
(1S)-1-(3,5-dimethoxyphenyl)-2-(methylamino)-1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethanol;hydrochloride
CID 162314613
N-(3,5-dimethoxyphenyl)-N-(2-fluorobutyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644047
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(E)-prop-1-enyl]quinoxalin-6-amine
CID 167052862
6-methoxy-N-[[2-methoxy-4-(methylamino)phenyl]methyl]quinoxalin-2-amine
CID 163752941
N'-(2-fluoro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine
CID 126735620

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 155538985) is N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COc1ccc(CNc2ccc3ncc(-c4cnn(C)c4)nc3c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is RDTRERNJNDGFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-26-13-15(11-24-26)20-12-23-18-7-5-16(8-19(18)25-20)22-10-14-4-6-17(27-2)9-21(14)28-3/h4-9,11-13,22H,10H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 375.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 155538985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).