3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine

C35H47N7 — CID 53321513

IUPAC3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine
SMILESCN(CCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2
InChIInChI=1S/C35H47N7/c1-40(24-14-22-36-34-28-16-8-10-18-30(28)38-32-20-6-2-4-12-26-41(32)34)25-15-23-37-35-29-17-9-11-19-31(29)39-33-21-7-3-5-13-27-42(33)35/h8-11,16-19H,2-7,12-15,20-27H2,1H3/b36-34+,37-35+
InChIKeyHRGWPWPGDJPQJL-VHJMTFITSA-N
MW565.81 g/mol
LogP5.83
Rot. Bonds8

About 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine

3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine (PubChem CID 53321513) has the molecular formula C35H47N7 and a molecular weight of 565.81 g/mol. Its IUPAC name is 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine
PubChem CID53321513
Molecular FormulaC35H47N7
Molecular Weight565.81 g/mol
Exact Mass565.39
IUPAC Name3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine
SMILESCN(CCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2
InChIInChI=1S/C35H47N7/c1-40(24-14-22-36-34-28-16-8-10-18-30(28)38-32-20-6-2-4-12-26-41(32)34)25-15-23-37-35-29-17-9-11-19-31(29)39-33-21-7-3-5-13-27-42(33)35/h8-11,16-19H,2-7,12-15,20-27H2,1H3/b36-34+,37-35+
InChIKeyHRGWPWPGDJPQJL-VHJMTFITSA-N
XLogP5.83
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.81
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine (CID 53321513) is 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine is CN(CCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2.
What is the InChIKey of 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine?
The InChIKey is HRGWPWPGDJPQJL-VHJMTFITSA-N. The full InChI is InChI=1S/C35H47N7/c1-40(24-14-22-36-34-28-16-8-10-18-30(28)38-32-20-6-2-4-12-26-41(32)34)25-15-23-37-35-29-17-9-11-19-31(29)39-33-21-7-3-5-13-27-42(33)35/h8-11,16-19H,2-7,12-15,20-27H2,1H3/b36-34+,37-35+.
What are the key properties of 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine?
3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine has a molecular weight of 565.81 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-N-methylpropan-1-amine is sourced from PubChem (CID 53321513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).