2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide

C24H28N4O — CID 156830444

IUPAC2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C4CC4)cn3)CC(C)C)ccc2nc1N
InChIInChI=1S/C24H28N4O/c1-15(2)13-28(14-21-8-6-19(12-26-21)17-4-5-17)24(29)18-7-9-22-20(11-18)10-16(3)23(25)27-22/h6-12,15,17H,4-5,13-14H2,1-3H3,(H2,25,27)
InChIKeyPPGZTLOHNMGSGH-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.70
Rot. Bonds6

About 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide

2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide (PubChem CID 156830444) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide
PubChem CID156830444
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C4CC4)cn3)CC(C)C)ccc2nc1N
InChIInChI=1S/C24H28N4O/c1-15(2)13-28(14-21-8-6-19(12-26-21)17-4-5-17)24(29)18-7-9-22-20(11-18)10-16(3)23(25)27-22/h6-12,15,17H,4-5,13-14H2,1-3H3,(H2,25,27)
InChIKeyPPGZTLOHNMGSGH-UHFFFAOYSA-N
XLogP4.70
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide 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-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide (CID 156830444) is 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C4CC4)cn3)CC(C)C)ccc2nc1N.
What is the InChIKey of 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide?
The InChIKey is PPGZTLOHNMGSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15(2)13-28(14-21-8-6-19(12-26-21)17-4-5-17)24(29)18-7-9-22-20(11-18)10-16(3)23(25)27-22/h6-12,15,17H,4-5,13-14H2,1-3H3,(H2,25,27).
What are the key properties of 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide?
2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide is sourced from PubChem (CID 156830444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).