4-(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-methylbutan-1-amine

C36H49N7 — CID 53324170

IUPAC4-(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-methylbutan-1-amine
SMILESCN(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2
InChIInChI=1S/C36H49N7/c1-41(26-16-24-38-36-30-18-9-11-20-32(30)40-34-22-7-3-5-14-28-43(34)36)25-15-12-23-37-35-29-17-8-10-19-31(29)39-33-21-6-2-4-13-27-42(33)35/h8-11,17-20H,2-7,12-16,21-28H2,1H3/b37-35+,38-36+
InChIKeyGBRLUBUNUOVHDJ-ATXIYDNESA-N
MW579.84 g/mol
LogP6.22
Rot. Bonds9

About 4-(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-methylbutan-1-amine

4-(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-methylbutan-1-amine (PubChem CID 53324170) has the molecular formula C36H49N7 and a molecular weight of 579.84 g/mol. Its IUPAC name is 4-(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-methylbutan-1-amine.

Molecular Properties

Compound Name4-(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-methylbutan-1-amine
PubChem CID53324170
Molecular FormulaC36H49N7
Molecular Weight579.84 g/mol
Exact Mass579.40
IUPAC Name4-(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-methylbutan-1-amine
SMILESCN(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2
InChIInChI=1S/C36H49N7/c1-41(26-16-24-38-36-30-18-9-11-20-32(30)40-34-22-7-3-5-14-28-43(34)36)25-15-12-23-37-35-29-17-8-10-19-31(29)39-33-21-6-2-4-13-27-42(33)35/h8-11,17-20H,2-7,12-16,21-28H2,1H3/b37-35+,38-36+
InChIKeyGBRLUBUNUOVHDJ-ATXIYDNESA-N
XLogP6.22
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.84
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(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-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(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-methylbutan-1-amine?
The IUPAC name of 4-(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-methylbutan-1-amine (CID 53324170) is 4-(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-methylbutan-1-amine.
What is the SMILES notation for 4-(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-methylbutan-1-amine?
The canonical SMILES for 4-(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-methylbutan-1-amine is CN(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2.
What is the InChIKey of 4-(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-methylbutan-1-amine?
The InChIKey is GBRLUBUNUOVHDJ-ATXIYDNESA-N. The full InChI is InChI=1S/C36H49N7/c1-41(26-16-24-38-36-30-18-9-11-20-32(30)40-34-22-7-3-5-14-28-43(34)36)25-15-12-23-37-35-29-17-8-10-19-31(29)39-33-21-6-2-4-13-27-42(33)35/h8-11,17-20H,2-7,12-16,21-28H2,1H3/b37-35+,38-36+.
What are the key properties of 4-(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-methylbutan-1-amine?
4-(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-methylbutan-1-amine has a molecular weight of 579.84 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(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-methylbutan-1-amine is sourced from PubChem (CID 53324170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).