9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione

C25H25N3O2 — CID 142402598

IUPAC9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione
SMILESCc1cc(Nc2ccnc3ccccc23)c(=O)cc2c1C(=O)NC1(CCCCC1)C2
InChIInChI=1S/C25H25N3O2/c1-16-13-21(27-20-9-12-26-19-8-4-3-7-18(19)20)22(29)14-17-15-25(10-5-2-6-11-25)28-24(30)23(16)17/h3-4,7-9,12-14H,2,5-6,10-11,15H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyFVEURHIFVIYZSA-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.64
Rot. Bonds2

About 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione

9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione (PubChem CID 142402598) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione.

Molecular Properties

Compound Name9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione
PubChem CID142402598
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione
SMILESCc1cc(Nc2ccnc3ccccc23)c(=O)cc2c1C(=O)NC1(CCCCC1)C2
InChIInChI=1S/C25H25N3O2/c1-16-13-21(27-20-9-12-26-19-8-4-3-7-18(19)20)22(29)14-17-15-25(10-5-2-6-11-25)28-24(30)23(16)17/h3-4,7-9,12-14H,2,5-6,10-11,15H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyFVEURHIFVIYZSA-UHFFFAOYSA-N
XLogP4.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione with MolForge

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Related Compounds

9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione
CID 135258980
1-[(quinolin-4-ylamino)methyl]cyclopentan-1-ol
CID 65110731
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
8-[(2-amino-4-pyridinyl)methylamino]-N-(2-methylphenyl)-6-oxo-5-azaspiro[3.5]non-7-ene-7-carbothioamide
CID 154674292
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
CID 113294684
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
N-ethylquinolin-4-amine
CID 15306588
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
CID 80548139
2-(4-fluorophenyl)-N-[4-[3-(2-methylanilino)-4-oxospiro[5,7-dihydro-1H-pyrrolo[3,2-c]pyridine-6,1'-cyclobutane]-2-yl]-2-pyridinyl]acetamide
CID 154674444
6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
7-tert-butylspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one
CID 82132378

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione?
The IUPAC name of 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione (CID 142402598) is 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione.
What is the SMILES notation for 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione?
The canonical SMILES for 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione is Cc1cc(Nc2ccnc3ccccc23)c(=O)cc2c1C(=O)NC1(CCCCC1)C2.
What is the InChIKey of 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione?
The InChIKey is FVEURHIFVIYZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-13-21(27-20-9-12-26-19-8-4-3-7-18(19)20)22(29)14-17-15-25(10-5-2-6-11-25)28-24(30)23(16)17/h3-4,7-9,12-14H,2,5-6,10-11,15H2,1H3,(H,28,30)(H,26,27,29).
What are the key properties of 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione?
9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione has a molecular weight of 399.49 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(quinolin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclohexane]-1,6-dione is sourced from PubChem (CID 142402598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).