N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide

C19H20N4O2S — CID 90676207

IUPACN-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)21-12-6-11-20-19-17-13-7-2-4-9-15(13)22-18(17)14-8-3-5-10-16(14)23-19/h2-5,7-10,21-22H,6,11-12H2,1H3,(H,20,23)
InChIKeyWBUZGTZQBORZOP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide

N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide (PubChem CID 90676207) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide
PubChem CID90676207
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)21-12-6-11-20-19-17-13-7-2-4-9-15(13)22-18(17)14-8-3-5-10-16(14)23-19/h2-5,7-10,21-22H,6,11-12H2,1H3,(H,20,23)
InChIKeyWBUZGTZQBORZOP-UHFFFAOYSA-N
XLogP3.22
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide (CID 90676207) is N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12.
What is the InChIKey of N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide?
The InChIKey is WBUZGTZQBORZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-26(24,25)21-12-6-11-20-19-17-13-7-2-4-9-15(13)22-18(17)14-8-3-5-10-16(14)23-19/h2-5,7-10,21-22H,6,11-12H2,1H3,(H,20,23).
What are the key properties of N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide?
N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 90676207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).