3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one

C75H84N10O9 — CID 159898911

IUPAC3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one
SMILESC.Cc1ccc2[nH]c(=O)oc2c1.Cc1ccc2c(=O)[nH]n(C)c2c1.Cc1ccc2c(c1)C(=O)CCC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CNC(=O)N2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)NCC2=O.Cc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C11H12O.C10H12N2O.2C9H10N2O.C9H9NO2.C9H9NO.C9H11N.C8H7NO2.CH4/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;1-6-3-4-7-8(5-6)11(2)10-9(7)12;1-6-2-3-8-7(4-6)5-10-9(12)11-8;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-6-2-3-7-8(4-6)10-5-9(7)11;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-6-7(4-5)11-8(10)9-6;/h5-7H,2-4H2,1H3;3-5H,6H2,1-2H3,(H,11,13);3-5H,1-2H3,(H,10,12);2-4H,5H2,1H3,(H2,10,11,12);3-5H,1-2H3;2-4,10H,5H2,1H3;2-3,6,10H,4-5H2,1H3;2-4H,1H3,(H,9,10);1H4
InChIKeyNVRVDWCRAHFFMQ-UHFFFAOYSA-N
MW1269.56 g/mol
LogP14.05
Rot. Bonds

About 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one

3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 159898911) has the molecular formula C75H84N10O9 and a molecular weight of 1269.56 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one
PubChem CID159898911
Molecular FormulaC75H84N10O9
Molecular Weight1269.56 g/mol
Exact Mass1268.64
IUPAC Name3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one
SMILESC.Cc1ccc2[nH]c(=O)oc2c1.Cc1ccc2c(=O)[nH]n(C)c2c1.Cc1ccc2c(c1)C(=O)CCC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CNC(=O)N2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)NCC2=O.Cc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C11H12O.C10H12N2O.2C9H10N2O.C9H9NO2.C9H9NO.C9H11N.C8H7NO2.CH4/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;1-6-3-4-7-8(5-6)11(2)10-9(7)12;1-6-2-3-8-7(4-6)5-10-9(12)11-8;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-6-2-3-7-8(4-6)10-5-9(7)11;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-6-7(4-5)11-8(10)9-6;/h5-7H,2-4H2,1H3;3-5H,6H2,1-2H3,(H,11,13);3-5H,1-2H3,(H,10,12);2-4H,5H2,1H3,(H2,10,11,12);3-5H,1-2H3;2-4,10H,5H2,1H3;2-3,6,10H,4-5H2,1H3;2-4H,1H3,(H,9,10);1H4
InChIKeyNVRVDWCRAHFFMQ-UHFFFAOYSA-N
XLogP14.05
TPSA250.60 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001269.56
LogP ≤ 514.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one with MolForge

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Related Compounds

3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one;6-methyl-2-methylidene-3H-1,3-benzoxazole
CID 158057227
3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 159788941
1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 160412564
3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;6-methyl-3H-1-benzofuran-2-one;6-methyl-1,2-dihydroindazol-3-one;5-methyl-2,3-dihydro-1H-indene;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 161318853
3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1-benzofuran-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one
CID 164977245
3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;6-methyl-3H-1,3-benzoxazol-2-one;6-methyl-1,2-dihydroindazol-3-one;5-methyl-2,3-dihydro-1H-indole;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one
CID 165011913
3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;6-methyl-3H-1-benzofuran-2-one;7-methyl-2,4-dihydro-1H-isoquinolin-3-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 165036419

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one (CID 159898911) is 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one is C.Cc1ccc2[nH]c(=O)oc2c1.Cc1ccc2c(=O)[nH]n(C)c2c1.Cc1ccc2c(c1)C(=O)CCC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CNC(=O)N2.Cc1ccc2c(c1)N(C)C(=O)NC2.Cc1ccc2c(c1)NCC2=O.Cc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is NVRVDWCRAHFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C10H12N2O.2C9H10N2O.C9H9NO2.C9H9NO.C9H11N.C8H7NO2.CH4/c1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-7-3-4-8-6-11-10(13)12(2)9(8)5-7;1-6-3-4-7-8(5-6)11(2)10-9(7)12;1-6-2-3-8-7(4-6)5-10-9(12)11-8;1-6-3-4-8-7(5-6)10(2)9(11)12-8;1-6-2-3-7-8(4-6)10-5-9(7)11;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-6-7(4-5)11-8(10)9-6;/h5-7H,2-4H2,1H3;3-5H,6H2,1-2H3,(H,11,13);3-5H,1-2H3,(H,10,12);2-4H,5H2,1H3,(H2,10,11,12);3-5H,1-2H3;2-4,10H,5H2,1H3;2-3,6,10H,4-5H2,1H3;2-4H,1H3,(H,9,10);1H4.
What are the key properties of 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one?
3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 1269.56 g/mol, XLogP of 14.05, 0 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3-benzoxazol-2-one;1,7-dimethyl-3,4-dihydroquinazolin-2-one;1,6-dimethyl-2H-indazol-3-one;methane;6-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1H-indole;6-methyl-1,2-dihydroindol-3-one;7-methyl-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 159898911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).