N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine

C26H32N8O — CID 171056989

IUPACN-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc4cccc(N5CC6(CN(OC)C6)C5)c4n3)nc1)C2
InChIInChI=1S/C26H32N8O/c1-3-31-11-25(12-31)13-32(14-25)20-7-8-22(27-10-20)29-24-28-9-19-5-4-6-21(23(19)30-24)33-15-26(16-33)17-34(18-26)35-2/h4-10H,3,11-18H2,1-2H3,(H,27,28,29,30)
InChIKeyVOKLQPCLSKURNB-UHFFFAOYSA-N
MW472.60 g/mol
LogP2.59
Rot. Bonds6

About N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine

N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine (PubChem CID 171056989) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine
PubChem CID171056989
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC NameN-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc4cccc(N5CC6(CN(OC)C6)C5)c4n3)nc1)C2
InChIInChI=1S/C26H32N8O/c1-3-31-11-25(12-31)13-32(14-25)20-7-8-22(27-10-20)29-24-28-9-19-5-4-6-21(23(19)30-24)33-15-26(16-33)17-34(18-26)35-2/h4-10H,3,11-18H2,1-2H3,(H,27,28,29,30)
InChIKeyVOKLQPCLSKURNB-UHFFFAOYSA-N
XLogP2.59
TPSA72.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
CID 170739913
N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-4-(7-propan-2-ylthieno[3,2-b]pyridin-2-yl)pyrimidin-2-amine
CID 164709853
9-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine
CID 167655081
1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine
CID 154938985
5-ethyl-2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]spiro[6H-thieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 164540311
2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]quinazolin-8-yl]-2-azaspiro[3.3]heptan-6-ol
CID 170739922
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-3-propan-2-yl-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 155077752
N-[4-(4-ethylpiperazin-1-yl)phenyl]-8-(2-fluorophenyl)quinazolin-2-amine
CID 141446254
N-(5-piperidin-1-yl-2-pyridinyl)-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 146359752
10-methyl-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[3,5,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclohexane]-11-one
CID 138616238
8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine
CID 167046550
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-methyl-3-propan-2-yl-5,10,12-triaza-3-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-11-amine
CID 153319039

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine?
The IUPAC name of N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine (CID 171056989) is N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine.
What is the SMILES notation for N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine?
The canonical SMILES for N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine is CCN1CC2(C1)CN(c1ccc(Nc3ncc4cccc(N5CC6(CN(OC)C6)C5)c4n3)nc1)C2.
What is the InChIKey of N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine?
The InChIKey is VOKLQPCLSKURNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-3-31-11-25(12-31)13-32(14-25)20-7-8-22(27-10-20)29-24-28-9-19-5-4-6-21(23(19)30-24)33-15-26(16-33)17-34(18-26)35-2/h4-10H,3,11-18H2,1-2H3,(H,27,28,29,30).
What are the key properties of N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine?
N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine has a molecular weight of 472.60 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine is sourced from PubChem (CID 171056989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).