(4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone

C17H15N3O — CID 10912819

IUPAC(4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone
SMILESCc1cc(C)c2nnc(C(=O)c3ccccc3)c(N)c2c1
InChIInChI=1S/C17H15N3O/c1-10-8-11(2)15-13(9-10)14(18)16(20-19-15)17(21)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,18,19)
InChIKeySTNMRIAVXKMRCS-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.06
Rot. Bonds2

About (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone

(4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone (PubChem CID 10912819) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone
PubChem CID10912819
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone
SMILESCc1cc(C)c2nnc(C(=O)c3ccccc3)c(N)c2c1
InChIInChI=1S/C17H15N3O/c1-10-8-11(2)15-13(9-10)14(18)16(20-19-15)17(21)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,18,19)
InChIKeySTNMRIAVXKMRCS-UHFFFAOYSA-N
XLogP3.06
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
CID 177320141
4-amino-5,7-dimethylcinnoline-3-carboxylic acid
CID 82393494
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide
CID 177319660
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070
(4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride
CID 117069035
ethyl 3-benzoyl-5,7-dimethylquinoline-2-carboxylate
CID 176908700
(2-benzoyl-4,6-dimethylphenyl) benzoate
CID 141250028
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605

Frequently Asked Questions

What is the IUPAC name of (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone?
The IUPAC name of (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone (CID 10912819) is (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone?
The canonical SMILES for (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone is Cc1cc(C)c2nnc(C(=O)c3ccccc3)c(N)c2c1.
What is the InChIKey of (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone?
The InChIKey is STNMRIAVXKMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-8-11(2)15-13(9-10)14(18)16(20-19-15)17(21)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,18,19).
What are the key properties of (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone?
(4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone has a molecular weight of 277.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone is sourced from PubChem (CID 10912819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).