chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine

C183H257Cl6F7N14O3S — CID 163921851

IUPACchlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.Cc1ccccc1Cl.Cc1nocc1-c1cc2ccccc2nc1N.Clc1ccccc1.Clc1ccccc1Cl.Clc1cccs1.Fc1cccc(F)c1.Fc1ccccc1.Fc1ccccc1Cl.Fc1ccccc1F.Nc1ccc2cccnc2n1.Nc1nc2ccccc2cc1-c1ccc(F)cc1.Nc1nc2ccccc2cc1-c1cccnc1.O=C1COc2cc3ccccc3nc2N1.c1ccncc1
InChIInChI=1S/C15H11FN2.C14H11N3.C13H11N3O.C11H8N2O2.C8H7N3.C7H7Cl.C6H4Cl2.C6H4ClF.C6H5Cl.2C6H4F2.C6H5F.C5H5N.14C5H12.C4H3ClS/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17;15-14-12(11-5-3-7-16-9-11)8-10-4-1-2-6-13(10)17-14;1-8-11(7-17-16-8)10-6-9-4-2-3-5-12(9)15-13(10)14;14-10-6-15-9-5-7-3-1-2-4-8(7)12-11(9)13-10;9-7-4-3-6-2-1-5-10-8(6)11-7;1-6-4-2-3-5-7(6)8;2*7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;14*1-5(2,3)4;5-4-2-1-3-6-4/h1-9H,(H2,17,18);1-9H,(H2,15,17);2-7H,1H3,(H2,14,15);1-5H,6H2,(H,12,13,14);1-5H,(H2,9,10,11);2-5H,1H3;2*1-4H;1-5H;2*1-4H;1-5H;1-5H;14*1-4H3;1-3H
InChIKeyRBBNLWHOOUQBNN-UHFFFAOYSA-N
MW3078.93 g/mol
LogP60.49
Rot. Bonds3

About chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine

chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine (PubChem CID 163921851) has the molecular formula C183H257Cl6F7N14O3S and a molecular weight of 3078.93 g/mol. Its IUPAC name is chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine.

Molecular Properties

Compound Namechlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine
PubChem CID163921851
Molecular FormulaC183H257Cl6F7N14O3S
Molecular Weight3078.93 g/mol
Exact Mass3073.81
IUPAC Namechlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.Cc1ccccc1Cl.Cc1nocc1-c1cc2ccccc2nc1N.Clc1ccccc1.Clc1ccccc1Cl.Clc1cccs1.Fc1cccc(F)c1.Fc1ccccc1.Fc1ccccc1Cl.Fc1ccccc1F.Nc1ccc2cccnc2n1.Nc1nc2ccccc2cc1-c1ccc(F)cc1.Nc1nc2ccccc2cc1-c1cccnc1.O=C1COc2cc3ccccc3nc2N1.c1ccncc1
InChIInChI=1S/C15H11FN2.C14H11N3.C13H11N3O.C11H8N2O2.C8H7N3.C7H7Cl.C6H4Cl2.C6H4ClF.C6H5Cl.2C6H4F2.C6H5F.C5H5N.14C5H12.C4H3ClS/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17;15-14-12(11-5-3-7-16-9-11)8-10-4-1-2-6-13(10)17-14;1-8-11(7-17-16-8)10-6-9-4-2-3-5-12(9)15-13(10)14;14-10-6-15-9-5-7-3-1-2-4-8(7)12-11(9)13-10;9-7-4-3-6-2-1-5-10-8(6)11-7;1-6-4-2-3-5-7(6)8;2*7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;14*1-5(2,3)4;5-4-2-1-3-6-4/h1-9H,(H2,17,18);1-9H,(H2,15,17);2-7H,1H3,(H2,14,15);1-5H,6H2,(H,12,13,14);1-5H,(H2,9,10,11);2-5H,1H3;2*1-4H;1-5H;2*1-4H;1-5H;1-5H;14*1-4H3;1-3H
InChIKeyRBBNLWHOOUQBNN-UHFFFAOYSA-N
XLogP60.49
TPSA271.56 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003078.93
LogP ≤ 560.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine?
The IUPAC name of chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine (CID 163921851) is chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine.
What is the SMILES notation for chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine?
The canonical SMILES for chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.Cc1ccccc1Cl.Cc1nocc1-c1cc2ccccc2nc1N.Clc1ccccc1.Clc1ccccc1Cl.Clc1cccs1.Fc1cccc(F)c1.Fc1ccccc1.Fc1ccccc1Cl.Fc1ccccc1F.Nc1ccc2cccnc2n1.Nc1nc2ccccc2cc1-c1ccc(F)cc1.Nc1nc2ccccc2cc1-c1cccnc1.O=C1COc2cc3ccccc3nc2N1.c1ccncc1.
What is the InChIKey of chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine?
The InChIKey is RBBNLWHOOUQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2.C14H11N3.C13H11N3O.C11H8N2O2.C8H7N3.C7H7Cl.C6H4Cl2.C6H4ClF.C6H5Cl.2C6H4F2.C6H5F.C5H5N.14C5H12.C4H3ClS/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17;15-14-12(11-5-3-7-16-9-11)8-10-4-1-2-6-13(10)17-14;1-8-11(7-17-16-8)10-6-9-4-2-3-5-12(9)15-13(10)14;14-10-6-15-9-5-7-3-1-2-4-8(7)12-11(9)13-10;9-7-4-3-6-2-1-5-10-8(6)11-7;1-6-4-2-3-5-7(6)8;2*7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;14*1-5(2,3)4;5-4-2-1-3-6-4/h1-9H,(H2,17,18);1-9H,(H2,15,17);2-7H,1H3,(H2,14,15);1-5H,6H2,(H,12,13,14);1-5H,(H2,9,10,11);2-5H,1H3;2*1-4H;1-5H;2*1-4H;1-5H;1-5H;14*1-4H3;1-3H.
What are the key properties of chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine?
chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine has a molecular weight of 3078.93 g/mol, XLogP of 60.49, 3 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1-chloro-2-fluorobenzene;1-chloro-2-methylbenzene;2-chlorothiophene;1,2-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;tetradecakis(2,2-dimethylpropane);fluorobenzene;3-(4-fluorophenyl)quinolin-2-amine;3-(3-methyl-1,2-oxazol-4-yl)quinolin-2-amine;1,8-naphthyridin-2-amine;4H-[1,4]oxazino[3,2-b]quinolin-3-one;pyridine;3-pyridin-3-ylquinolin-2-amine is sourced from PubChem (CID 163921851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).