1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride

C32H47ClN6 — CID 54607641

IUPAC1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride
SMILESCCN(CC)CC(C)Nc1cc(C)nc2c1ccc1c2ccc2c(NC(C)CN(CC)CC)cc(C)nc21.Cl
InChIInChI=1S/C32H46N6.ClH/c1-9-37(10-2)19-23(7)33-29-17-21(5)35-31-25-14-16-28-30(34-24(8)20-38(11-3)12-4)18-22(6)36-32(28)26(25)13-15-27(29)31;/h13-18,23-24H,9-12,19-20H2,1-8H3,(H,33,35)(H,34,36);1H
InChIKeyYRQRCFGCZBGHMM-UHFFFAOYSA-N
MW551.22 g/mol
LogP7.26
Rot. Bonds12

About 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride

1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride (PubChem CID 54607641) has the molecular formula C32H47ClN6 and a molecular weight of 551.22 g/mol. Its IUPAC name is 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride
PubChem CID54607641
Molecular FormulaC32H47ClN6
Molecular Weight551.22 g/mol
Exact Mass550.36
IUPAC Name1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride
SMILESCCN(CC)CC(C)Nc1cc(C)nc2c1ccc1c2ccc2c(NC(C)CN(CC)CC)cc(C)nc21.Cl
InChIInChI=1S/C32H46N6.ClH/c1-9-37(10-2)19-23(7)33-29-17-21(5)35-31-25-14-16-28-30(34-24(8)20-38(11-3)12-4)18-22(6)36-32(28)26(25)13-15-27(29)31;/h13-18,23-24H,9-12,19-20H2,1-8H3,(H,33,35)(H,34,36);1H
InChIKeyYRQRCFGCZBGHMM-UHFFFAOYSA-N
XLogP7.26
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.22
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride?
The IUPAC name of 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride (CID 54607641) is 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride.
What is the SMILES notation for 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride?
The canonical SMILES for 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride is CCN(CC)CC(C)Nc1cc(C)nc2c1ccc1c2ccc2c(NC(C)CN(CC)CC)cc(C)nc21.Cl.
What is the InChIKey of 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride?
The InChIKey is YRQRCFGCZBGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N6.ClH/c1-9-37(10-2)19-23(7)33-29-17-21(5)35-31-25-14-16-28-30(34-24(8)20-38(11-3)12-4)18-22(6)36-32(28)26(25)13-15-27(29)31;/h13-18,23-24H,9-12,19-20H2,1-8H3,(H,33,35)(H,34,36);1H.
What are the key properties of 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride?
1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride has a molecular weight of 551.22 g/mol, XLogP of 7.26, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,7-N-bis[1-(diethylamino)propan-2-yl]-3,9-dimethylquinolino[8,7-h]quinoline-1,7-diamine;hydrochloride is sourced from PubChem (CID 54607641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).