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

C17H24N4O — CID 72855520

IUPAC2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(N2CCC3(CCCNC3=O)C2)nc2c1CCCC2
InChIInChI=1S/C17H24N4O/c1-12-13-5-2-3-6-14(13)20-16(19-12)21-10-8-17(11-21)7-4-9-18-15(17)22/h2-11H2,1H3,(H,18,22)
InChIKeyKWPPRFHMQGBFME-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.77
Rot. Bonds1

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

2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72855520) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72855520
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(N2CCC3(CCCNC3=O)C2)nc2c1CCCC2
InChIInChI=1S/C17H24N4O/c1-12-13-5-2-3-6-14(13)20-16(19-12)21-10-8-17(11-21)7-4-9-18-15(17)22/h2-11H2,1H3,(H,18,22)
InChIKeyKWPPRFHMQGBFME-UHFFFAOYSA-N
XLogP1.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72855520) is 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nc(N2CCC3(CCCNC3=O)C2)nc2c1CCCC2.
What is the InChIKey of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KWPPRFHMQGBFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-13-5-2-3-6-14(13)20-16(19-12)21-10-8-17(11-21)7-4-9-18-15(17)22/h2-11H2,1H3,(H,18,22).
What are the key properties of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 300.41 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72855520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).