N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine

C26H29N7 — CID 167366616

IUPACN-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(NCCN4CC5(CC(N)C5)C4)cc3c2)n1
InChIInChI=1S/C26H29N7/c1-17-3-2-4-23(32-17)25-24(30-16-31-25)18-5-6-22-19(9-18)10-21(13-29-22)28-7-8-33-14-26(15-33)11-20(27)12-26/h2-6,9-10,13,16,20,28H,7-8,11-12,14-15,27H2,1H3,(H,30,31)
InChIKeyXYCXQFRRKKAHDV-UHFFFAOYSA-N
MW439.57 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine

N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine (PubChem CID 167366616) has the molecular formula C26H29N7 and a molecular weight of 439.57 g/mol. Its IUPAC name is N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine
PubChem CID167366616
Molecular FormulaC26H29N7
Molecular Weight439.57 g/mol
Exact Mass439.25
IUPAC NameN-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(NCCN4CC5(CC(N)C5)C4)cc3c2)n1
InChIInChI=1S/C26H29N7/c1-17-3-2-4-23(32-17)25-24(30-16-31-25)18-5-6-22-19(9-18)10-21(13-29-22)28-7-8-33-14-26(15-33)11-20(27)12-26/h2-6,9-10,13,16,20,28H,7-8,11-12,14-15,27H2,1H3,(H,30,31)
InChIKeyXYCXQFRRKKAHDV-UHFFFAOYSA-N
XLogP3.83
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine?
The IUPAC name of N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine (CID 167366616) is N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine?
The canonical SMILES for N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine is Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(NCCN4CC5(CC(N)C5)C4)cc3c2)n1.
What is the InChIKey of N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine?
The InChIKey is XYCXQFRRKKAHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7/c1-17-3-2-4-23(32-17)25-24(30-16-31-25)18-5-6-22-19(9-18)10-21(13-29-22)28-7-8-33-14-26(15-33)11-20(27)12-26/h2-6,9-10,13,16,20,28H,7-8,11-12,14-15,27H2,1H3,(H,30,31).
What are the key properties of N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine?
N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine has a molecular weight of 439.57 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-amine is sourced from PubChem (CID 167366616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).