N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide

C24H32FN5O3S — CID 167059054

IUPACN-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
SMILESCCNc1cnc2cc(F)c(-c3cnc(OCCNC(C)C)c(NS(C)(=O)=O)c3)cc2c1CC
InChIInChI=1S/C24H32FN5O3S/c1-6-17-19-11-18(20(25)12-21(19)28-14-23(17)26-7-2)16-10-22(30-34(5,31)32)24(29-13-16)33-9-8-27-15(3)4/h10-15,26-27,30H,6-9H2,1-5H3
InChIKeyCBMRPTACHQBHKW-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.18
Rot. Bonds11

About N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide

N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide (PubChem CID 167059054) has the molecular formula C24H32FN5O3S and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
PubChem CID167059054
Molecular FormulaC24H32FN5O3S
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC NameN-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
SMILESCCNc1cnc2cc(F)c(-c3cnc(OCCNC(C)C)c(NS(C)(=O)=O)c3)cc2c1CC
InChIInChI=1S/C24H32FN5O3S/c1-6-17-19-11-18(20(25)12-21(19)28-14-23(17)26-7-2)16-10-22(30-34(5,31)32)24(29-13-16)33-9-8-27-15(3)4/h10-15,26-27,30H,6-9H2,1-5H3
InChIKeyCBMRPTACHQBHKW-UHFFFAOYSA-N
XLogP4.18
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide (CID 167059054) is N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide is CCNc1cnc2cc(F)c(-c3cnc(OCCNC(C)C)c(NS(C)(=O)=O)c3)cc2c1CC.
What is the InChIKey of N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide?
The InChIKey is CBMRPTACHQBHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O3S/c1-6-17-19-11-18(20(25)12-21(19)28-14-23(17)26-7-2)16-10-22(30-34(5,31)32)24(29-13-16)33-9-8-27-15(3)4/h10-15,26-27,30H,6-9H2,1-5H3.
What are the key properties of N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide?
N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide has a molecular weight of 489.62 g/mol, XLogP of 4.18, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-ethyl-3-(ethylamino)-7-fluoroquinolin-6-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 167059054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).