2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one

C18H27N5O — CID 72897673

IUPAC2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(C)c1nc2c(c(N3CCC4(CCCNC4=O)C3)n1)CCCC2
InChIInChI=1S/C18H27N5O/c1-22(2)17-20-14-7-4-3-6-13(14)15(21-17)23-11-9-18(12-23)8-5-10-19-16(18)24/h3-12H2,1-2H3,(H,19,24)
InChIKeyRVUKHTOQZSXXLC-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.53
Rot. Bonds2

About 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one

2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72897673) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72897673
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(C)c1nc2c(c(N3CCC4(CCCNC4=O)C3)n1)CCCC2
InChIInChI=1S/C18H27N5O/c1-22(2)17-20-14-7-4-3-6-13(14)15(21-17)23-11-9-18(12-23)8-5-10-19-16(18)24/h3-12H2,1-2H3,(H,19,24)
InChIKeyRVUKHTOQZSXXLC-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one (CID 72897673) is 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one is CN(C)c1nc2c(c(N3CCC4(CCCNC4=O)C3)n1)CCCC2.
What is the InChIKey of 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RVUKHTOQZSXXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-22(2)17-20-14-7-4-3-6-13(14)15(21-17)23-11-9-18(12-23)8-5-10-19-16(18)24/h3-12H2,1-2H3,(H,19,24).
What are the key properties of 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one?
2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 329.45 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72897673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).