N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine

C23H29N3 — CID 155010539

IUPACN-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine
SMILESC=NC1=C(N2C=CC=C(C)C2)C(C(C)C)CC2=C1NC(=C)C(C(=C)C)=C2
InChIInChI=1S/C23H29N3/c1-14(2)19-11-18-12-20(15(3)4)23(26-10-8-9-16(5)13-26)22(24-7)21(18)25-17(19)6/h8-11,15,20,25H,1,6-7,12-13H2,2-5H3
InChIKeyUHDMGVTUKXIWOS-UHFFFAOYSA-N
MW347.51 g/mol
LogP5.22
Rot. Bonds4

About N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine

N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine (PubChem CID 155010539) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine.

Molecular Properties

Compound NameN-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine
PubChem CID155010539
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC NameN-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine
SMILESC=NC1=C(N2C=CC=C(C)C2)C(C(C)C)CC2=C1NC(=C)C(C(=C)C)=C2
InChIInChI=1S/C23H29N3/c1-14(2)19-11-18-12-20(15(3)4)23(26-10-8-9-16(5)13-26)22(24-7)21(18)25-17(19)6/h8-11,15,20,25H,1,6-7,12-13H2,2-5H3
InChIKeyUHDMGVTUKXIWOS-UHFFFAOYSA-N
XLogP5.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine?
The IUPAC name of N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine (CID 155010539) is N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine.
What is the SMILES notation for N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine?
The canonical SMILES for N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine is C=NC1=C(N2C=CC=C(C)C2)C(C(C)C)CC2=C1NC(=C)C(C(=C)C)=C2.
What is the InChIKey of N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine?
The InChIKey is UHDMGVTUKXIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-14(2)19-11-18-12-20(15(3)4)23(26-10-8-9-16(5)13-26)22(24-7)21(18)25-17(19)6/h8-11,15,20,25H,1,6-7,12-13H2,2-5H3.
What are the key properties of N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine?
N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine has a molecular weight of 347.51 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylidene-7-(3-methyl-2H-pyridin-1-yl)-6-propan-2-yl-3-prop-1-en-2-yl-5,6-dihydro-1H-quinolin-8-yl]methanimine is sourced from PubChem (CID 155010539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).