4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine

C24H29ClN4 — CID 42637314

IUPAC4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2[nH]c3ccccc3c12
InChIInChI=1S/C24H29ClN4/c1-4-29(5-2)14-8-9-16(3)26-23-19-13-12-17(25)15-21(19)28-24-22(23)18-10-6-7-11-20(18)27-24/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H2,26,27,28)
InChIKeyLXYHGBBKOVZZDY-UHFFFAOYSA-N
MW408.98 g/mol
LogP6.45
Rot. Bonds8

About 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 42637314) has the molecular formula C24H29ClN4 and a molecular weight of 408.98 g/mol. Its IUPAC name is 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID42637314
Molecular FormulaC24H29ClN4
Molecular Weight408.98 g/mol
Exact Mass408.21
IUPAC Name4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2[nH]c3ccccc3c12
InChIInChI=1S/C24H29ClN4/c1-4-29(5-2)14-8-9-16(3)26-23-19-13-12-17(25)15-21(19)28-24-22(23)18-10-6-7-11-20(18)27-24/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H2,26,27,28)
InChIKeyLXYHGBBKOVZZDY-UHFFFAOYSA-N
XLogP6.45
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.98
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Related Compounds

4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195
6H-indolo(2,3-b)quinoline
CID 67484
1,4-Pentanediamine, N(sup 4)-(2-(2-(4-bromophenyl)ethenyl)-7-chloro-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-
CID 5285750
Ezurpimtrostat
CID 121305180
N-phenyl-9H-pyrimido[4,5-b]indol-4-amine
CID 5328391
1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}cyclohexane-1,4-diamine
CID 10115841
2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
3-[4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)butyl]guanidine
CID 22667956
N'-(11H-indolo(3,2-c)quinolin-6-yl)-N,N-dimethylethane-1,2-diamine
CID 24204050
N-(2-aminoethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 25190632
N-{(1s)-1-[8-Chloro-2-(3-Fluorophenyl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine
CID 57707893

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 42637314) is 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2[nH]c3ccccc3c12.
What is the InChIKey of 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is LXYHGBBKOVZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4/c1-4-29(5-2)14-8-9-16(3)26-23-19-13-12-17(25)15-21(19)28-24-22(23)18-10-6-7-11-20(18)27-24/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H2,26,27,28).
What are the key properties of 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 408.98 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-6H-indolo[2,3-b]quinolin-11-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 42637314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).