N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine

C37H35N7 — CID 44512441

IUPACN-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1nc2ccccc2c2[nH]c3ccccc3c12)CCCNc1nc2ccccc2c2[nH]c3ccccc3c12
InChIInChI=1S/C37H35N7/c1-44(22-10-20-38-36-32-24-12-2-6-16-28(24)40-34(32)26-14-4-8-18-30(26)42-36)23-11-21-39-37-33-25-13-3-7-17-29(25)41-35(33)27-15-5-9-19-31(27)43-37/h2-9,12-19,40-41H,10-11,20-23H2,1H3,(H,38,42)(H,39,43)
InChIKeyKSPMNARLPDCIMO-UHFFFAOYSA-N
MW577.74 g/mol
LogP8.29
Rot. Bonds10

About N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine

N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine (PubChem CID 44512441) has the molecular formula C37H35N7 and a molecular weight of 577.74 g/mol. Its IUPAC name is N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine
PubChem CID44512441
Molecular FormulaC37H35N7
Molecular Weight577.74 g/mol
Exact Mass577.30
IUPAC NameN-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1nc2ccccc2c2[nH]c3ccccc3c12)CCCNc1nc2ccccc2c2[nH]c3ccccc3c12
InChIInChI=1S/C37H35N7/c1-44(22-10-20-38-36-32-24-12-2-6-16-28(24)40-34(32)26-14-4-8-18-30(26)42-36)23-11-21-39-37-33-25-13-3-7-17-29(25)41-35(33)27-15-5-9-19-31(27)43-37/h2-9,12-19,40-41H,10-11,20-23H2,1H3,(H,38,42)(H,39,43)
InChIKeyKSPMNARLPDCIMO-UHFFFAOYSA-N
XLogP8.29
TPSA84.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.74
LogP ≤ 58.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine (CID 44512441) is N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine is CN(CCCNc1nc2ccccc2c2[nH]c3ccccc3c12)CCCNc1nc2ccccc2c2[nH]c3ccccc3c12.
What is the InChIKey of N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine?
The InChIKey is KSPMNARLPDCIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N7/c1-44(22-10-20-38-36-32-24-12-2-6-16-28(24)40-34(32)26-14-4-8-18-30(26)42-36)23-11-21-39-37-33-25-13-3-7-17-29(25)41-35(33)27-15-5-9-19-31(27)43-37/h2-9,12-19,40-41H,10-11,20-23H2,1H3,(H,38,42)(H,39,43).
What are the key properties of N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine?
N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine has a molecular weight of 577.74 g/mol, XLogP of 8.29, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11H-indolo[3,2-c]quinolin-6-yl)-N'-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 44512441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).