N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide

C24H26N2O4S — CID 42273870

IUPACN-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(Cc1cccc(OC[C@H]2CCOC2)c1)C1CC1
InChIInChI=1S/C24H26N2O4S/c27-31(28,23-8-2-5-20-6-3-12-25-24(20)23)26(21-9-10-21)15-18-4-1-7-22(14-18)30-17-19-11-13-29-16-19/h1-8,12,14,19,21H,9-11,13,15-17H2/t19-/m0/s1
InChIKeyQNLJWNMZVYWLSL-IBGZPJMESA-N
MW438.55 g/mol
LogP4.00
Rot. Bonds8

About N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide

N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide (PubChem CID 42273870) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide
PubChem CID42273870
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(Cc1cccc(OC[C@H]2CCOC2)c1)C1CC1
InChIInChI=1S/C24H26N2O4S/c27-31(28,23-8-2-5-20-6-3-12-25-24(20)23)26(21-9-10-21)15-18-4-1-7-22(14-18)30-17-19-11-13-29-16-19/h1-8,12,14,19,21H,9-11,13,15-17H2/t19-/m0/s1
InChIKeyQNLJWNMZVYWLSL-IBGZPJMESA-N
XLogP4.00
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide (CID 42273870) is N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide is O=S(=O)(c1cccc2cccnc12)N(Cc1cccc(OC[C@H]2CCOC2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide?
The InChIKey is QNLJWNMZVYWLSL-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O4S/c27-31(28,23-8-2-5-20-6-3-12-25-24(20)23)26(21-9-10-21)15-18-4-1-7-22(14-18)30-17-19-11-13-29-16-19/h1-8,12,14,19,21H,9-11,13,15-17H2/t19-/m0/s1.
What are the key properties of N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide?
N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 42273870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).