N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine

C18H17N3O — CID 2867356

IUPACN-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine
SMILESCOc1ccccc1C=NNc1cc(C)c2ccccc2n1
InChIInChI=1S/C18H17N3O/c1-13-11-18(20-16-9-5-4-8-15(13)16)21-19-12-14-7-3-6-10-17(14)22-2/h3-12H,1-2H3,(H,20,21)
InChIKeyMXCJOQVCDAHLRM-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.00
Rot. Bonds4

About N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine

N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine (PubChem CID 2867356) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine
PubChem CID2867356
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine
SMILESCOc1ccccc1C=NNc1cc(C)c2ccccc2n1
InChIInChI=1S/C18H17N3O/c1-13-11-18(20-16-9-5-4-8-15(13)16)21-19-12-14-7-3-6-10-17(14)22-2/h3-12H,1-2H3,(H,20,21)
InChIKeyMXCJOQVCDAHLRM-UHFFFAOYSA-N
XLogP4.00
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[3-[2-(Dimethylamino)ethyl]phenoxy]methyl]quinolin-2-Amine
CID 91971381
7-[[3-[(Dimethylamino)methyl]phenoxy]methyl]quinolin-2-Amine
CID 91971383
7-[[3-(Methylaminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971384
7-[[3-(Aminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971385
4-Methyl-7-({3-[(Methylamino)methyl]phenoxy}methyl)quinolin-2-Amine
CID 124136836
7-[3-(Aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
CID 146025972
7-{3-(Aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
CID 146025973
N-(4-methoxyphenyl)-4-methylquinolin-2-amine
CID 812368
1,3-Benzodioxole-5-carbaldehyde 2-quinolinylhydrazone
CID 5335051
7-[3-(Aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
CID 146025971
7-[3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine
CID 146025974
7-[3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
CID 146025975

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine (CID 2867356) is N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine is COc1ccccc1C=NNc1cc(C)c2ccccc2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine?
The InChIKey is MXCJOQVCDAHLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-11-18(20-16-9-5-4-8-15(13)16)21-19-12-14-7-3-6-10-17(14)22-2/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine?
N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine has a molecular weight of 291.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine is sourced from PubChem (CID 2867356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).