3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one

C14H15N3O — CID 57050944

IUPAC3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one
SMILESCC1Cc2nc(N)n(C)c(=O)c2-c2ccccc21
InChIInChI=1S/C14H15N3O/c1-8-7-11-12(10-6-4-3-5-9(8)10)13(18)17(2)14(15)16-11/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyRJSMFSXJFWGGON-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.69
Rot. Bonds

About 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one

3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one (PubChem CID 57050944) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one
PubChem CID57050944
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one
SMILESCC1Cc2nc(N)n(C)c(=O)c2-c2ccccc21
InChIInChI=1S/C14H15N3O/c1-8-7-11-12(10-6-4-3-5-9(8)10)13(18)17(2)14(15)16-11/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyRJSMFSXJFWGGON-UHFFFAOYSA-N
XLogP1.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115419375
1-methyl-3-methylidene-1,2-dihydroindene
CID 59797400
(3R)-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 163151559
4,10-dimethyl-9,10-dihydrophenanthrene
CID 144612931
(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine
CID 115420975
2,4-dichloro-6-methyl-5,6-dihydrobenzo[h]quinazoline
CID 115420771
(2Z)-2-(4-methyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)acetic acid
CID 101030638
6-methyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinazoline
CID 102255496
3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline
CID 115419533
2-(2-aminophenyl)-3,4-dimethylcyclopent-2-en-1-one
CID 159441258
2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
CID 115419355

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one (CID 57050944) is 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one is CC1Cc2nc(N)n(C)c(=O)c2-c2ccccc21.
What is the InChIKey of 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one?
The InChIKey is RJSMFSXJFWGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-8-7-11-12(10-6-4-3-5-9(8)10)13(18)17(2)14(15)16-11/h3-6,8H,7H2,1-2H3,(H2,15,16).
What are the key properties of 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one?
3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one has a molecular weight of 241.29 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethyl-5,6-dihydrobenzo[f]quinazolin-1-one is sourced from PubChem (CID 57050944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).