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

C27H33Cl2N5O — CID 118728386

IUPACN-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCOCC4)c3cc12
InChIInChI=1S/C27H33Cl2N5O/c1-3-32(4-2)8-7-30-23-16-20(29)17-24-21(23)18-26-27(31-24)22-15-19(28)5-6-25(22)34(26)10-9-33-11-13-35-14-12-33/h5-6,15-18,30H,3-4,7-14H2,1-2H3
InChIKeyNLNCRCZHIDUVQB-UHFFFAOYSA-N
MW514.50 g/mol
LogP5.74
Rot. Bonds9

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

N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 118728386) has the molecular formula C27H33Cl2N5O and a molecular weight of 514.50 g/mol. Its IUPAC name is N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID118728386
Molecular FormulaC27H33Cl2N5O
Molecular Weight514.50 g/mol
Exact Mass513.21
IUPAC NameN-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCOCC4)c3cc12
InChIInChI=1S/C27H33Cl2N5O/c1-3-32(4-2)8-7-30-23-16-20(29)17-24-21(23)18-26-27(31-24)22-15-19(28)5-6-25(22)34(26)10-9-33-11-13-35-14-12-33/h5-6,15-18,30H,3-4,7-14H2,1-2H3
InChIKeyNLNCRCZHIDUVQB-UHFFFAOYSA-N
XLogP5.74
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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'-diethylethane-1,2-diamine?
The IUPAC name of N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine (CID 118728386) is N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-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'-diethylethane-1,2-diamine?
The canonical SMILES for N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1cc(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'-diethylethane-1,2-diamine?
The InChIKey is NLNCRCZHIDUVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N5O/c1-3-32(4-2)8-7-30-23-16-20(29)17-24-21(23)18-26-27(31-24)22-15-19(28)5-6-25(22)34(26)10-9-33-11-13-35-14-12-33/h5-6,15-18,30H,3-4,7-14H2,1-2H3.
What are the key properties of N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine?
N-[3,7-dichloro-10-(2-morpholin-4-ylethyl)indolo[3,2-b]quinolin-1-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 514.50 g/mol, XLogP of 5.74, 9 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'-diethylethane-1,2-diamine is sourced from PubChem (CID 118728386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).