4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide

C22H30N4O3S — CID 175992763

IUPAC4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide
SMILESCc1cc(C(C)CC(C)(C)S(N)(=O)=O)c2nc(N3CCOCC3)c(C)c(C#N)c2c1
InChIInChI=1S/C22H30N4O3S/c1-14-10-17(15(2)12-22(4,5)30(24,27)28)20-18(11-14)19(13-23)16(3)21(25-20)26-6-8-29-9-7-26/h10-11,15H,6-9,12H2,1-5H3,(H2,24,27,28)
InChIKeyMAAFBYXSHLCIIA-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.12
Rot. Bonds5

About 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide

4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide (PubChem CID 175992763) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide.

Molecular Properties

Compound Name4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide
PubChem CID175992763
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide
SMILESCc1cc(C(C)CC(C)(C)S(N)(=O)=O)c2nc(N3CCOCC3)c(C)c(C#N)c2c1
InChIInChI=1S/C22H30N4O3S/c1-14-10-17(15(2)12-22(4,5)30(24,27)28)20-18(11-14)19(13-23)16(3)21(25-20)26-6-8-29-9-7-26/h10-11,15H,6-9,12H2,1-5H3,(H2,24,27,28)
InChIKeyMAAFBYXSHLCIIA-UHFFFAOYSA-N
XLogP3.12
TPSA109.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide with MolForge

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Related Compounds

8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753277
N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline
CID 170752990
8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753768
5-amino-2,4-dimethyl-7-morpholin-4-yl-1,6-naphthyridine-8-carbonitrile
CID 102145611
tert-butyl-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)propyl]amino]-oxidosulfanium
CID 175998947
4-[3-methyl-4-methylsulfonyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869566
2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 162638269
4,6-dimethyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166601275
4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
CID 56916954
4,13-dimorpholin-4-yl-5,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene-3,12-dicarbonitrile
CID 21082935
(2R)-2-(4-methylphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetonitrile
CID 2002196

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide?
The IUPAC name of 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide (CID 175992763) is 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide.
What is the SMILES notation for 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide?
The canonical SMILES for 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide is Cc1cc(C(C)CC(C)(C)S(N)(=O)=O)c2nc(N3CCOCC3)c(C)c(C#N)c2c1.
What is the InChIKey of 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide?
The InChIKey is MAAFBYXSHLCIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-14-10-17(15(2)12-22(4,5)30(24,27)28)20-18(11-14)19(13-23)16(3)21(25-20)26-6-8-29-9-7-26/h10-11,15H,6-9,12H2,1-5H3,(H2,24,27,28).
What are the key properties of 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide?
4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide has a molecular weight of 430.57 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide is sourced from PubChem (CID 175992763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).