2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline

C56H81N9 — CID 158745132

About 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline

2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 158745132) has the molecular formula C56H81N9 and a molecular weight of 880.33 g/mol. Its IUPAC name is 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline
• PubChem CID: 158745132
• Molecular Formula: C56H81N9
• Molecular Weight: 880.33 g/mol
• Exact Mass: 879.66
• IUPAC Name: 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline
• SMILES: CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1CCc2cccnc2C1.CC(C)N1CCc2ccncc2C1.CC(C)N1CCc2ncncc2C1
• InChI: InChI=1S/2C12H17N.2C11H16N2.C10H15N3/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)13-6-4-10-3-5-12-7-11(10)8-13;1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-8(2)13-4-3-10-9(6-13)5-11-7-12-10/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;5,7-8H,3-4,6H2,1-2H3
• InChIKey: IMUGBLOIVLHKKF-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 67.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.33
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The IUPAC name of 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 158745132) is 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The canonical SMILES for 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1CCc2cccnc2C1.CC(C)N1CCc2ccncc2C1.CC(C)N1CCc2ncncc2C1.

What is the InChIKey of 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline?

The InChIKey is IMUGBLOIVLHKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.2C11H16N2.C10H15N3/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)13-6-4-10-3-5-12-7-11(10)8-13;1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-8(2)13-4-3-10-9(6-13)5-11-7-12-10/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;5,7-8H,3-4,6H2,1-2H3.

What are the key properties of 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline?

2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 880.33 g/mol, XLogP of 10.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 158745132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).