9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H23N5O4 — CID 163317114

IUPAC9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc2nc(N3CCC4(CC3)CNC(=O)CO4)nc(N)c2cc1OC
InChIInChI=1S/C18H23N5O4/c1-25-13-7-11-12(8-14(13)26-2)21-17(22-16(11)19)23-5-3-18(4-6-23)10-20-15(24)9-27-18/h7-8H,3-6,9-10H2,1-2H3,(H,20,24)(H2,19,21,22)
InChIKeyYVGACEKUGLHJGP-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.71
Rot. Bonds3

About 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 163317114) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID163317114
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc2nc(N3CCC4(CC3)CNC(=O)CO4)nc(N)c2cc1OC
InChIInChI=1S/C18H23N5O4/c1-25-13-7-11-12(8-14(13)26-2)21-17(22-16(11)19)23-5-3-18(4-6-23)10-20-15(24)9-27-18/h7-8H,3-6,9-10H2,1-2H3,(H,20,24)(H2,19,21,22)
InChIKeyYVGACEKUGLHJGP-UHFFFAOYSA-N
XLogP0.71
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
CID 163462957
CID 163462957
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
CID 163462958
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
CID 166215953
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 13036383
1-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]cyclopentan-1-ol
CID 57012621
4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]thiadiazole-5-carbaldehyde
CID 88806136

Frequently Asked Questions

What is the IUPAC name of 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 163317114) is 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1cc2nc(N3CCC4(CC3)CNC(=O)CO4)nc(N)c2cc1OC.
What is the InChIKey of 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YVGACEKUGLHJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-25-13-7-11-12(8-14(13)26-2)21-17(22-16(11)19)23-5-3-18(4-6-23)10-20-15(24)9-27-18/h7-8H,3-6,9-10H2,1-2H3,(H,20,24)(H2,19,21,22).
What are the key properties of 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.41 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 163317114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).