2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine

C30H30N6OS — CID 145249663

IUPAC2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(/C1=C(C)Cc2c(cccc2-c2ccsc2)N1)c1nc(-c2cncc(OC3CCNCC3)c2)ccc1N
InChIInChI=1S/C30H30N6OS/c1-18-13-24-23(19-9-12-38-17-19)3-2-4-27(24)36-29(18)28(32)30-25(31)5-6-26(35-30)20-14-22(16-34-15-20)37-21-7-10-33-11-8-21/h2-6,9,12,14-17,21,32-33,36H,7-8,10-11,13,31H2,1H3/b32-28-
InChIKeyFPTLGFMJHGXCJB-BLCKFSMSSA-N
MW522.68 g/mol
LogP5.90
Rot. Bonds6

About 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine

2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine (PubChem CID 145249663) has the molecular formula C30H30N6OS and a molecular weight of 522.68 g/mol. Its IUPAC name is 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine
PubChem CID145249663
Molecular FormulaC30H30N6OS
Molecular Weight522.68 g/mol
Exact Mass522.22
IUPAC Name2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(/C1=C(C)Cc2c(cccc2-c2ccsc2)N1)c1nc(-c2cncc(OC3CCNCC3)c2)ccc1N
InChIInChI=1S/C30H30N6OS/c1-18-13-24-23(19-9-12-38-17-19)3-2-4-27(24)36-29(18)28(32)30-25(31)5-6-26(35-30)20-14-22(16-34-15-20)37-21-7-10-33-11-8-21/h2-6,9,12,14-17,21,32-33,36H,7-8,10-11,13,31H2,1H3/b32-28-
InChIKeyFPTLGFMJHGXCJB-BLCKFSMSSA-N
XLogP5.90
TPSA108.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.68
LogP ≤ 55.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine 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 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine?
The IUPAC name of 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine (CID 145249663) is 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine is [H]/N=C(/C1=C(C)Cc2c(cccc2-c2ccsc2)N1)c1nc(-c2cncc(OC3CCNCC3)c2)ccc1N.
What is the InChIKey of 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine?
The InChIKey is FPTLGFMJHGXCJB-BLCKFSMSSA-N. The full InChI is InChI=1S/C30H30N6OS/c1-18-13-24-23(19-9-12-38-17-19)3-2-4-27(24)36-29(18)28(32)30-25(31)5-6-26(35-30)20-14-22(16-34-15-20)37-21-7-10-33-11-8-21/h2-6,9,12,14-17,21,32-33,36H,7-8,10-11,13,31H2,1H3/b32-28-.
What are the key properties of 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine?
2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine has a molecular weight of 522.68 g/mol, XLogP of 5.90, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-thiophen-3-yl-1,4-dihydroquinoline-2-carboximidoyl)-6-(5-piperidin-4-yloxy-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 145249663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).