chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine

C158H219ClF6N18O3 — CID 159818004

About chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine

chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine (PubChem CID 159818004) has the molecular formula C158H219ClF6N18O3 and a molecular weight of 2568.05 g/mol. Its IUPAC name is chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine.

Molecular Properties

• Compound Name: chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine
• PubChem CID: 159818004
• Molecular Formula: C158H219ClF6N18O3
• Molecular Weight: 2568.05 g/mol
• Exact Mass: 2565.71
• IUPAC Name: chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine
• SMILES: 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.CC1(C)C(N)=NC2C=CC=CC21.Cc1nocc1-c1cc2ccccc2nc1N.Clc1ccccc1.Fc1cccc(F)c1.Fc1ccccc1.Fc1ccccc1F.Nc1ccc2cccnc2n1.Nc1nc2ccccc2cc1-c1ccc(F)cc1.Nc1nc2ccccc2cc1-c1cccnc1.Nc1ncc2ccccc2n1.O=C1COc2cc3ccccc3nc2N1
• InChI: InChI=1S/C15H11FN2.C14H11N3.C13H11N3O.C11H8N2O2.C10H14N2.2C8H7N3.C6H5Cl.2C6H4F2.C6H5F.11C5H12/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;1-10(2)7-5-3-4-6-8(7)12-9(10)11;9-7-4-3-6-2-1-5-10-8(6)11-7;9-8-10-5-6-3-1-2-4-7(6)11-8;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;11*1-5(2,3)4/h1-9H,(H2,17,18);1-9H,(H2,15,17);2-7H,1H3,(H2,14,15);1-5H,6H2,(H,12,13,14);3-8H,1-2H3,(H2,11,12);2*1-5H,(H2,9,10,11);1-5H;2*1-4H;1-5H;11*1-4H3
• InChIKey: NLWFPQKXXGHMBB-UHFFFAOYSA-N
• XLogP: 45.44
• TPSA: 348.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 3
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.05
LogP ≤ 5	45.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine?

The IUPAC name of chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine (CID 159818004) is chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine.

What is the SMILES notation for chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine?

The canonical SMILES for chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-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.CC1(C)C(N)=NC2C=CC=CC21.Cc1nocc1-c1cc2ccccc2nc1N.Clc1ccccc1.Fc1cccc(F)c1.Fc1ccccc1.Fc1ccccc1F.Nc1ccc2cccnc2n1.Nc1nc2ccccc2cc1-c1ccc(F)cc1.Nc1nc2ccccc2cc1-c1cccnc1.Nc1ncc2ccccc2n1.O=C1COc2cc3ccccc3nc2N1.

What is the InChIKey of chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine?

The InChIKey is NLWFPQKXXGHMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2.C14H11N3.C13H11N3O.C11H8N2O2.C10H14N2.2C8H7N3.C6H5Cl.2C6H4F2.C6H5F.11C5H12/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;1-10(2)7-5-3-4-6-8(7)12-9(10)11;9-7-4-3-6-2-1-5-10-8(6)11-7;9-8-10-5-6-3-1-2-4-7(6)11-8;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;11*1-5(2,3)4/h1-9H,(H2,17,18);1-9H,(H2,15,17);2-7H,1H3,(H2,14,15);1-5H,6H2,(H,12,13,14);3-8H,1-2H3,(H2,11,12);2*1-5H,(H2,9,10,11);1-5H;2*1-4H;1-5H;11*1-4H3.

What are the key properties of chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine?

chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine has a molecular weight of 2568.05 g/mol, XLogP of 45.44, 3 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for chlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;3,3-dimethyl-3a,7a-dihydroindol-2-amine;undecakis(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;3-pyridin-3-ylquinolin-2-amine;quinazolin-2-amine is sourced from PubChem (CID 159818004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).