2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one

C17H21N3O — CID 135500927

IUPAC2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCN(C)Cc1nc2c(c(=O)[nH]1)C(C)(C)Cc1ccccc1-2
InChIInChI=1S/C17H21N3O/c1-17(2)9-11-7-5-6-8-12(11)15-14(17)16(21)19-13(18-15)10-20(3)4/h5-8H,9-10H2,1-4H3,(H,18,19,21)
InChIKeyRQWIYCGKKVRFPI-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.33
Rot. Bonds2

About 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one

2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135500927) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135500927
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCN(C)Cc1nc2c(c(=O)[nH]1)C(C)(C)Cc1ccccc1-2
InChIInChI=1S/C17H21N3O/c1-17(2)9-11-7-5-6-8-12(11)15-14(17)16(21)19-13(18-15)10-20(3)4/h5-8H,9-10H2,1-4H3,(H,18,19,21)
InChIKeyRQWIYCGKKVRFPI-UHFFFAOYSA-N
XLogP2.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135500927) is 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one is CN(C)Cc1nc2c(c(=O)[nH]1)C(C)(C)Cc1ccccc1-2.
What is the InChIKey of 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is RQWIYCGKKVRFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2)9-11-7-5-6-8-12(11)15-14(17)16(21)19-13(18-15)10-20(3)4/h5-8H,9-10H2,1-4H3,(H,18,19,21).
What are the key properties of 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 283.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5,5-dimethyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135500927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).