5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine

C24H28N4 — CID 129043065

IUPAC5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine
SMILESCc1cc(N)ccc1Cc1ccnc2cc(CN3CC(N)C4(CC4)C3)ccc12
InChIInChI=1S/C24H28N4/c1-16-10-20(25)4-3-18(16)12-19-6-9-27-22-11-17(2-5-21(19)22)13-28-14-23(26)24(15-28)7-8-24/h2-6,9-11,23H,7-8,12-15,25-26H2,1H3
InChIKeyDSXSZUXGZJTZTI-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.64
Rot. Bonds4

About 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine

5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine (PubChem CID 129043065) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine
PubChem CID129043065
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine
SMILESCc1cc(N)ccc1Cc1ccnc2cc(CN3CC(N)C4(CC4)C3)ccc12
InChIInChI=1S/C24H28N4/c1-16-10-20(25)4-3-18(16)12-19-6-9-27-22-11-17(2-5-21(19)22)13-28-14-23(26)24(15-28)7-8-24/h2-6,9-11,23H,7-8,12-15,25-26H2,1H3
InChIKeyDSXSZUXGZJTZTI-UHFFFAOYSA-N
XLogP3.64
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine with MolForge

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Related Compounds

4-[(6,7-dimethylquinolin-4-yl)methyl]aniline
CID 142137055
[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66481827
4-chloro-7-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]quinoline
CID 151469132
2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83825243
6-[(4-methyl-1,2-oxazol-3-yl)methyl]-6-azaspiro[3.4]octan-8-amine
CID 154776061
4-[[4-[17-[4-[(4-amino-2-methylphenyl)methyl]phenyl]heptadecyl]phenyl]methyl]-3-methylaniline
CID 18976897
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
CID 175402022
3-methyl-4-(3-pyrazol-1-ylpropyl)aniline
CID 69216404
4-methylquinoline-6,7-diamine
CID 177181300
4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
CID 103001497
4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
CID 103000945

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine (CID 129043065) is 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine is Cc1cc(N)ccc1Cc1ccnc2cc(CN3CC(N)C4(CC4)C3)ccc12.
What is the InChIKey of 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is DSXSZUXGZJTZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-16-10-20(25)4-3-18(16)12-19-6-9-27-22-11-17(2-5-21(19)22)13-28-14-23(26)24(15-28)7-8-24/h2-6,9-11,23H,7-8,12-15,25-26H2,1H3.
What are the key properties of 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine?
5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 372.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-amino-2-methylphenyl)methyl]quinolin-7-yl]methyl]-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 129043065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).