N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine

C38H30N4 — CID 70885627

About N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine

N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 70885627) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 70885627
• Molecular Formula: C38H30N4
• Molecular Weight: 542.69 g/mol
• Exact Mass: 542.25
• IUPAC Name: N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(N(c4ccccn4)c4nccc5ccccc45)cc(c12)C3(C)C
• InChI: InChI=1S/C38H30N4/c1-37(2)28-14-9-13-26-27-21-24(22-31-34(27)42(33(26)28)35-29(37)15-10-16-30(35)38(31,3)4)41(32-17-7-8-19-39-32)36-25-12-6-5-11-23(25)18-20-40-36/h5-22H,1-4H3
• InChIKey: ABNNFKNEQJUBCA-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.69
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine (CID 70885627) is N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine is CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(N(c4ccccn4)c4nccc5ccccc45)cc(c12)C3(C)C.

What is the InChIKey of N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is ABNNFKNEQJUBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-37(2)28-14-9-13-26-27-21-24(22-31-34(27)42(33(26)28)35-29(37)15-10-16-30(35)38(31,3)4)41(32-17-7-8-19-39-32)36-25-12-6-5-11-23(25)18-20-40-36/h5-22H,1-4H3.

What are the key properties of N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine?

N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 542.69 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-isoquinolin-1-yl-8,8,14,14-tetramethyl-N-pyridin-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 70885627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).