7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C23H25N5O3 — CID 176501614

IUPAC7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1cc2ncnc(N3CCC4(CCN(Cc5ccccn5)C4=O)C3)c2cc1OC
InChIInChI=1S/C23H25N5O3/c1-30-19-11-17-18(12-20(19)31-2)25-15-26-21(17)28-10-7-23(14-28)6-9-27(22(23)29)13-16-5-3-4-8-24-16/h3-5,8,11-12,15H,6-7,9-10,13-14H2,1-2H3
InChIKeyDFPMWUBGCWGFTK-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.67
Rot. Bonds5

About 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176501614) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176501614
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1cc2ncnc(N3CCC4(CCN(Cc5ccccn5)C4=O)C3)c2cc1OC
InChIInChI=1S/C23H25N5O3/c1-30-19-11-17-18(12-20(19)31-2)25-15-26-21(17)28-10-7-23(14-28)6-9-27(22(23)29)13-16-5-3-4-8-24-16/h3-5,8,11-12,15H,6-7,9-10,13-14H2,1-2H3
InChIKeyDFPMWUBGCWGFTK-UHFFFAOYSA-N
XLogP2.67
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641227
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642186
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline
CID 157040957
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
N,N-dimethyl-1-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370311

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 176501614) is 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is COc1cc2ncnc(N3CCC4(CCN(Cc5ccccn5)C4=O)C3)c2cc1OC.
What is the InChIKey of 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is DFPMWUBGCWGFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-19-11-17-18(12-20(19)31-2)25-15-26-21(17)28-10-7-23(14-28)6-9-27(22(23)29)13-16-5-3-4-8-24-16/h3-5,8,11-12,15H,6-7,9-10,13-14H2,1-2H3.
What are the key properties of 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 419.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176501614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).