2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C21H28N4O — CID 135887919

IUPAC2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCC3(CCCCC3)CC1)N2
InChIInChI=1S/C21H28N4O/c26-20-23-18-7-3-2-6-17(18)19-22-16(15-25(19)20)14-24-12-10-21(11-13-24)8-4-1-5-9-21/h2-3,6-7,16,22H,1,4-5,8-15H2
InChIKeyWTELTLCMQSKCDB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.24
Rot. Bonds2

About 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135887919) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135887919
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCC3(CCCCC3)CC1)N2
InChIInChI=1S/C21H28N4O/c26-20-23-18-7-3-2-6-17(18)19-22-16(15-25(19)20)14-24-12-10-21(11-13-24)8-4-1-5-9-21/h2-3,6-7,16,22H,1,4-5,8-15H2
InChIKeyWTELTLCMQSKCDB-UHFFFAOYSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135887919) is 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1CC(CN1CCC3(CCCCC3)CC1)N2.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is WTELTLCMQSKCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-20-23-18-7-3-2-6-17(18)19-22-16(15-25(19)20)14-24-12-10-21(11-13-24)8-4-1-5-9-21/h2-3,6-7,16,22H,1,4-5,8-15H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 352.48 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135887919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).