9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C18H27N5O2 — CID 56901801

IUPAC9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN(C)c1nc2c(c(N3CCCC4(CC3)CNC(=O)O4)n1)CCCC2
InChIInChI=1S/C18H27N5O2/c1-22(2)16-20-14-7-4-3-6-13(14)15(21-16)23-10-5-8-18(9-11-23)12-19-17(24)25-18/h3-12H2,1-2H3,(H,19,24)
InChIKeyNMRJQYSSJIRZIT-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.89
Rot. Bonds2

About 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 56901801) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID56901801
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN(C)c1nc2c(c(N3CCCC4(CC3)CNC(=O)O4)n1)CCCC2
InChIInChI=1S/C18H27N5O2/c1-22(2)16-20-14-7-4-3-6-13(14)15(21-16)23-10-5-8-18(9-11-23)12-19-17(24)25-18/h3-12H2,1-2H3,(H,19,24)
InChIKeyNMRJQYSSJIRZIT-UHFFFAOYSA-N
XLogP1.89
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 56901801) is 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CN(C)c1nc2c(c(N3CCCC4(CC3)CNC(=O)O4)n1)CCCC2.
What is the InChIKey of 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is NMRJQYSSJIRZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-22(2)16-20-14-7-4-3-6-13(14)15(21-16)23-10-5-8-18(9-11-23)12-19-17(24)25-18/h3-12H2,1-2H3,(H,19,24).
What are the key properties of 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 345.45 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 56901801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).