2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine

C21H18N4O — CID 166179673

IUPAC2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine
SMILESCc1nc2ccccc2cc1NCc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C21H18N4O/c1-15-20(12-17-4-2-3-5-19(17)25-15)24-13-16-6-8-18(9-7-16)26-21-14-22-10-11-23-21/h2-12,14,24H,13H2,1H3
InChIKeyVXCQOMYDHWVMMQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.74
Rot. Bonds5

About 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine

2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine (PubChem CID 166179673) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine
PubChem CID166179673
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine
SMILESCc1nc2ccccc2cc1NCc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C21H18N4O/c1-15-20(12-17-4-2-3-5-19(17)25-15)24-13-16-6-8-18(9-7-16)26-21-14-22-10-11-23-21/h2-12,14,24H,13H2,1H3
InChIKeyVXCQOMYDHWVMMQ-UHFFFAOYSA-N
XLogP4.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine
CID 86804405
2-[2-[(4-pyrazin-2-yloxyphenyl)methylamino]phenyl]acetamide
CID 71913529
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
2-fluoro-5-[(4-pyrazin-2-yloxyphenyl)methylamino]benzoic acid
CID 166224546
2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 166191676
2-(4-phenylphenoxy)pyrazine
CID 518373
tert-butyl (2R)-2-phenyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]acetate
CID 86791936
N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine
CID 106486733
tert-butyl 4-[[(4-pyrazin-2-yloxyphenyl)methylamino]methyl]benzoate
CID 119139118
4-methyl-2-[(4-pyrazin-2-yloxyphenyl)methylamino]pentan-1-ol
CID 111478244
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine?
The IUPAC name of 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine (CID 166179673) is 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine.
What is the SMILES notation for 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine?
The canonical SMILES for 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine is Cc1nc2ccccc2cc1NCc1ccc(Oc2cnccn2)cc1.
What is the InChIKey of 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine?
The InChIKey is VXCQOMYDHWVMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-20(12-17-4-2-3-5-19(17)25-15)24-13-16-6-8-18(9-7-16)26-21-14-22-10-11-23-21/h2-12,14,24H,13H2,1H3.
What are the key properties of 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine?
2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine has a molecular weight of 342.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]quinolin-3-amine is sourced from PubChem (CID 166179673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).