2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene

C103H163N5O4S — CID 162175611

About 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene

2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene (PubChem CID 162175611) has the molecular formula C103H163N5O4S and a molecular weight of 1567.53 g/mol. Its IUPAC name is 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene
• PubChem CID: 162175611
• Molecular Formula: C103H163N5O4S
• Molecular Weight: 1567.53 g/mol
• Exact Mass: 1566.24
• IUPAC Name: 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene
• SMILES: C=C1CCc2ccccc2N1.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.O=C1Cc2ccccc2CN1.O=S1(=O)Cc2ccccc2CN1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC21CC1.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CNCCO2
• InChI: InChI=1S/C12H14.C10H11N.C10H13N.C10H12.C9H9NO.C9H11NO.C8H9NO2S.7C5H12/c1-2-6-11-10(4-1)5-3-7-12(11)8-9-12;1-8-6-7-9-4-2-3-5-10(9)11-8;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-6-10-8-4-3-7-9(10)5-1;11-9-5-7-3-1-2-4-8(7)6-10-9;1-2-4-9-8(3-1)7-10-5-6-11-9;10-12(11)6-8-4-2-1-3-7(8)5-9-12;7*1-5(2,3)4/h1-2,4,6H,3,5,7-9H2;2-5,11H,1,6-7H2;1-2,4-5,11H,3,6-8H2;1-2,5-6H,3-4,7-8H2;1-4H,5-6H2,(H,10,11);1-4,10H,5-7H2;1-4,9H,5-6H2;7*1-4H3
• InChIKey: ZOIWMLQYMOOGCG-UHFFFAOYSA-N
• XLogP: 26.91
• TPSA: 120.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1567.53
LogP ≤ 5	26.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene (CID 162175611) is 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene is C=C1CCc2ccccc2N1.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.O=C1Cc2ccccc2CN1.O=S1(=O)Cc2ccccc2CN1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC21CC1.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CNCCO2.

What is the InChIKey of 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene?

The InChIKey is ZOIWMLQYMOOGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C10H11N.C10H13N.C10H12.C9H9NO.C9H11NO.C8H9NO2S.7C5H12/c1-2-6-11-10(4-1)5-3-7-12(11)8-9-12;1-8-6-7-9-4-2-3-5-10(9)11-8;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-6-10-8-4-3-7-9(10)5-1;11-9-5-7-3-1-2-4-8(7)6-10-9;1-2-4-9-8(3-1)7-10-5-6-11-9;10-12(11)6-8-4-2-1-3-7(8)5-9-12;7*1-5(2,3)4/h1-2,4,6H,3,5,7-9H2;2-5,11H,1,6-7H2;1-2,4-5,11H,3,6-8H2;1-2,5-6H,3-4,7-8H2;1-4H,5-6H2,(H,10,11);1-4,10H,5-7H2;1-4,9H,5-6H2;7*1-4H3.

What are the key properties of 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene?

2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene has a molecular weight of 1567.53 g/mol, XLogP of 26.91, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide;heptakis(2,2-dimethylpropane);2-methylidene-3,4-dihydro-1H-quinoline;spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1,4-benzoxazepine;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 162175611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).