N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide

C24H31N5O3S — CID 142145801

IUPACN-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide
SMILESCCCC/C=N/c1c(N)nc2ccccc2c1NCCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H31N5O3S/c1-2-3-9-14-26-23-22(20-12-7-8-13-21(20)29-24(23)25)27-15-17-32-18-16-28-33(30,31)19-10-5-4-6-11-19/h4-8,10-14,28H,2-3,9,15-18H2,1H3,(H3,25,27,29)/b26-14+
InChIKeyVWNBOVJXAONUCQ-VULFUBBASA-N
MW469.61 g/mol
LogP4.12
Rot. Bonds13

About N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide

N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide (PubChem CID 142145801) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide
PubChem CID142145801
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC NameN-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide
SMILESCCCC/C=N/c1c(N)nc2ccccc2c1NCCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H31N5O3S/c1-2-3-9-14-26-23-22(20-12-7-8-13-21(20)29-24(23)25)27-15-17-32-18-16-28-33(30,31)19-10-5-4-6-11-19/h4-8,10-14,28H,2-3,9,15-18H2,1H3,(H3,25,27,29)/b26-14+
InChIKeyVWNBOVJXAONUCQ-VULFUBBASA-N
XLogP4.12
TPSA118.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 20613683
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide
CID 20613684
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
CID 123703958
fluoroform;(6E)-7-methoxy-3-methylsulfonylocta-1,6-dien-4-yne;4-methyl-3-(4-propoxybutylideneamino)quinolin-2-amine
CID 142145803
N-tridecylbenzenesulfonamide
CID 3514704
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
4-(bromomethyl)-N-(2-butoxyethyl)benzenesulfonamide
CID 65480429
ethane;formaldehyde;4-methyl-3-(4-propoxybutylideneamino)quinolin-2-amine;(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 142145809
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide (CID 142145801) is N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide is CCCC/C=N/c1c(N)nc2ccccc2c1NCCOCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide?
The InChIKey is VWNBOVJXAONUCQ-VULFUBBASA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-2-3-9-14-26-23-22(20-12-7-8-13-21(20)29-24(23)25)27-15-17-32-18-16-28-33(30,31)19-10-5-4-6-11-19/h4-8,10-14,28H,2-3,9,15-18H2,1H3,(H3,25,27,29)/b26-14+.
What are the key properties of N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide?
N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide has a molecular weight of 469.61 g/mol, XLogP of 4.12, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-amino-3-(pentylideneamino)quinolin-4-yl]amino]ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 142145801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).