1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide

C27H35N3O4S — CID 159295349

IUPAC1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide
SMILESCC1CN(c2cccc(C3Nc4ccc(C(=O)C5(S(N)(=O)=O)CC5)cc4CC3(C)C)c2)CC(C)O1
InChIInChI=1S/C27H35N3O4S/c1-17-15-30(16-18(2)34-17)22-7-5-6-19(13-22)24-26(3,4)14-21-12-20(8-9-23(21)29-24)25(31)27(10-11-27)35(28,32)33/h5-9,12-13,17-18,24,29H,10-11,14-16H2,1-4H3,(H2,28,32,33)
InChIKeyLAQJMTWINDKYQY-UHFFFAOYSA-N
MW497.66 g/mol
LogP4.04
Rot. Bonds5

About 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide

1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide (PubChem CID 159295349) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide
PubChem CID159295349
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC Name1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide
SMILESCC1CN(c2cccc(C3Nc4ccc(C(=O)C5(S(N)(=O)=O)CC5)cc4CC3(C)C)c2)CC(C)O1
InChIInChI=1S/C27H35N3O4S/c1-17-15-30(16-18(2)34-17)22-7-5-6-19(13-22)24-26(3,4)14-21-12-20(8-9-23(21)29-24)25(31)27(10-11-27)35(28,32)33/h5-9,12-13,17-18,24,29H,10-11,14-16H2,1-4H3,(H2,28,32,33)
InChIKeyLAQJMTWINDKYQY-UHFFFAOYSA-N
XLogP4.04
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide (CID 159295349) is 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide is CC1CN(c2cccc(C3Nc4ccc(C(=O)C5(S(N)(=O)=O)CC5)cc4CC3(C)C)c2)CC(C)O1.
What is the InChIKey of 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide?
The InChIKey is LAQJMTWINDKYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-17-15-30(16-18(2)34-17)22-7-5-6-19(13-22)24-26(3,4)14-21-12-20(8-9-23(21)29-24)25(31)27(10-11-27)35(28,32)33/h5-9,12-13,17-18,24,29H,10-11,14-16H2,1-4H3,(H2,28,32,33).
What are the key properties of 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide?
1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide has a molecular weight of 497.66 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carbonyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 159295349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).