N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine

C28H35Cl2N5O — CID 118728385

IUPACN-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCOCC4)c3cc12
InChIInChI=1S/C28H35Cl2N5O/c1-3-33(4-2)9-5-8-31-24-17-21(30)18-25-22(24)19-27-28(32-25)23-16-20(29)6-7-26(23)35(27)11-10-34-12-14-36-15-13-34/h6-7,16-19,31H,3-5,8-15H2,1-2H3
InChIKeyLVUXAPZCIROVNX-UHFFFAOYSA-N
MW528.53 g/mol
LogP6.13
Rot. Bonds10

About N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine

N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 118728385) has the molecular formula C28H35Cl2N5O and a molecular weight of 528.53 g/mol. Its IUPAC name is N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine
PubChem CID118728385
Molecular FormulaC28H35Cl2N5O
Molecular Weight528.53 g/mol
Exact Mass527.22
IUPAC NameN-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCOCC4)c3cc12
InChIInChI=1S/C28H35Cl2N5O/c1-3-33(4-2)9-5-8-31-24-17-21(30)18-25-22(24)19-27-28(32-25)23-16-20(29)6-7-26(23)35(27)11-10-34-12-14-36-15-13-34/h6-7,16-19,31H,3-5,8-15H2,1-2H3
InChIKeyLVUXAPZCIROVNX-UHFFFAOYSA-N
XLogP6.13
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.53
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine (CID 118728385) is N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCOCC4)c3cc12.
What is the InChIKey of N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is LVUXAPZCIROVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35Cl2N5O/c1-3-33(4-2)9-5-8-31-24-17-21(30)18-25-22(24)19-27-28(32-25)23-16-20(29)6-7-26(23)35(27)11-10-34-12-14-36-15-13-34/h6-7,16-19,31H,3-5,8-15H2,1-2H3.
What are the key properties of N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine?
N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 528.53 g/mol, XLogP of 6.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 118728385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).