3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine

C25H33N5 — CID 123962845

IUPAC3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine
SMILESCCC(CCNc1nc2ccccc2cc1-c1cnc(C)cn1)NC1CCCCC1
InChIInChI=1S/C25H33N5/c1-3-20(29-21-10-5-4-6-11-21)13-14-26-25-22(24-17-27-18(2)16-28-24)15-19-9-7-8-12-23(19)30-25/h7-9,12,15-17,20-21,29H,3-6,10-11,13-14H2,1-2H3,(H,26,30)
InChIKeyGXQDAJBWJPFWDB-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.50
Rot. Bonds8

About 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine

3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine (PubChem CID 123962845) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine
PubChem CID123962845
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC Name3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine
SMILESCCC(CCNc1nc2ccccc2cc1-c1cnc(C)cn1)NC1CCCCC1
InChIInChI=1S/C25H33N5/c1-3-20(29-21-10-5-4-6-11-21)13-14-26-25-22(24-17-27-18(2)16-28-24)15-19-9-7-8-12-23(19)30-25/h7-9,12,15-17,20-21,29H,3-6,10-11,13-14H2,1-2H3,(H,26,30)
InChIKeyGXQDAJBWJPFWDB-UHFFFAOYSA-N
XLogP5.50
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine 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

3-N-cyclopentyl-1-N-[6-methyl-3-(2-methyl-1-oxido-2H-1,3-diazet-4-yl)quinolin-2-yl]pentane-1,3-diamine
CID 163917965
3-N-cycloheptyl-1-N-[3-(diaminomethyl)-6-fluoroquinolin-2-yl]pentane-1,3-diamine;ethanol
CID 144575555
N-(1-aminoethyl)-2-[3-(oxan-3-ylamino)pentylamino]quinoline-3-carboxamide
CID 139324541
3-(cyclohexylamino)-2-[[[3-(1,3-oxazol-2-yl)quinolin-2-yl]amino]methyl]pentan-1-ol
CID 139325162
[2-[[(3R)-3-(cyclohexylamino)pentyl]amino]-5-methyl-3-pyridinyl]-(methylamino)methanol
CID 144575960
2-[3-(cyclohexylamino)pentylamino]-6-methyl-N-propanimidoylquinoline-3-carboxamide
CID 147998906
methyl 2-[3-(cyclohexylamino)pentylamino]-5-iodopyridine-3-carboxylate
CID 144575420
N-(1-aminoethylidene)-5-bromo-2-[3-(cyclohexylamino)pentylamino]pyridine-3-carboxamide
CID 139324712
1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 115309552
N-pentyl-3-phenylquinolin-2-amine
CID 68572649
2-methyl-5-naphthalen-1-ylpyrazine
CID 118148882
N-(1-aminoethyl)-2-[3-(pentan-3-ylamino)pentylamino]quinoline-3-carboxamide
CID 123452707

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine?
The IUPAC name of 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine (CID 123962845) is 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine.
What is the SMILES notation for 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine?
The canonical SMILES for 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine is CCC(CCNc1nc2ccccc2cc1-c1cnc(C)cn1)NC1CCCCC1.
What is the InChIKey of 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine?
The InChIKey is GXQDAJBWJPFWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5/c1-3-20(29-21-10-5-4-6-11-21)13-14-26-25-22(24-17-27-18(2)16-28-24)15-19-9-7-8-12-23(19)30-25/h7-9,12,15-17,20-21,29H,3-6,10-11,13-14H2,1-2H3,(H,26,30).
What are the key properties of 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine?
3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine has a molecular weight of 403.57 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-N-[3-(5-methylpyrazin-2-yl)quinolin-2-yl]pentane-1,3-diamine is sourced from PubChem (CID 123962845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).