4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide

C22H28N4O4S — CID 59053506

IUPAC4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)CC(c2cncc(N3CCOCC3)c2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C22H28N4O4S/c1-22(2)12-20(16-10-17(14-23-13-16)26-6-8-30-9-7-26)24-19-5-4-15(11-18(19)22)21(27)25-31(3,28)29/h4-5,10-11,13-14,20,24H,6-9,12H2,1-3H3,(H,25,27)
InChIKeyZLTGGAQVDQZQSM-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.44
Rot. Bonds4

About 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide

4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide (PubChem CID 59053506) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide
PubChem CID59053506
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)CC(c2cncc(N3CCOCC3)c2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C22H28N4O4S/c1-22(2)12-20(16-10-17(14-23-13-16)26-6-8-30-9-7-26)24-19-5-4-15(11-18(19)22)21(27)25-31(3,28)29/h4-5,10-11,13-14,20,24H,6-9,12H2,1-3H3,(H,25,27)
InChIKeyZLTGGAQVDQZQSM-UHFFFAOYSA-N
XLogP2.44
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4,4-dimethyl-N-methylsulfonyl-2-(3-morpholin-4-ylphenyl)-2,3-dihydro-1H-quinoline-7-carboxamide
CID 59053565
2-(2-chloro-5-morpholin-4-ylphenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxylic acid
CID 70497024
2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
CID 53491763
3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67443556
2-benzamido-4,4-dimethyl-N-methylsulfonyl-2,3-dihydro-1H-quinoline-6-carboxamide
CID 123598137
ethyl 2-(2-ethyl-5-morpholin-4-ylphenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxylate
CID 70497821
2-[2-chloro-5-(2-oxopyrrolidin-3-yl)phenyl]-N-cyclopropylsulfonyl-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxamide
CID 141338197
4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide
CID 70496862
N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
CID 53491693
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4,4-dimethyl-2-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-2,3-dihydro-1H-quinoline-6-carboxamide
CID 56592320
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxylic acid
CID 66587554

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide (CID 59053506) is 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide is CC1(C)CC(c2cncc(N3CCOCC3)c2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21.
What is the InChIKey of 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is ZLTGGAQVDQZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-22(2)12-20(16-10-17(14-23-13-16)26-6-8-30-9-7-26)24-19-5-4-15(11-18(19)22)21(27)25-31(3,28)29/h4-5,10-11,13-14,20,24H,6-9,12H2,1-3H3,(H,25,27).
What are the key properties of 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide?
4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-methylsulfonyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 59053506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).