5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine

C23H27N4O+ — CID 25132228

IUPAC5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine
SMILESC[n+]1c2ccccc2c(NCCCN2CCOCC2)c2[nH]c3ccccc3c21
InChIInChI=1S/C23H26N4O/c1-26-20-10-5-3-8-18(20)21(24-11-6-12-27-13-15-28-16-14-27)22-23(26)17-7-2-4-9-19(17)25-22/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)/p+1
InChIKeyWEOXBOXUVOBNJE-UHFFFAOYSA-O
MW375.50 g/mol
LogP3.43
Rot. Bonds5

About 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine

5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine (PubChem CID 25132228) has the molecular formula C23H27N4O+ and a molecular weight of 375.50 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine
PubChem CID25132228
Molecular FormulaC23H27N4O+
Molecular Weight375.50 g/mol
Exact Mass375.22
IUPAC Name5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine
SMILESC[n+]1c2ccccc2c(NCCCN2CCOCC2)c2[nH]c3ccccc3c21
InChIInChI=1S/C23H26N4O/c1-26-20-10-5-3-8-18(20)21(24-11-6-12-27-13-15-28-16-14-27)22-23(26)17-7-2-4-9-19(17)25-22/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)/p+1
InChIKeyWEOXBOXUVOBNJE-UHFFFAOYSA-O
XLogP3.43
TPSA44.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
CID 51057245
9H-carbazole;4-methylmorpholine
CID 175233361
N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 54768920
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol
CID 20619529
2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 69241562
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine (CID 25132228) is 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine is C[n+]1c2ccccc2c(NCCCN2CCOCC2)c2[nH]c3ccccc3c21.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine?
The InChIKey is WEOXBOXUVOBNJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N4O/c1-26-20-10-5-3-8-18(20)21(24-11-6-12-27-13-15-28-16-14-27)22-23(26)17-7-2-4-9-19(17)25-22/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)/p+1.
What are the key properties of 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine?
5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine has a molecular weight of 375.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine is sourced from PubChem (CID 25132228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).