2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

C20H24N4O2S — CID 4076918

IUPAC2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1cccs1
InChIInChI=1S/C20H24N4O2S/c1-20(2)10-14-18(15(25)11-20)17(16-4-3-9-27-16)13(12-21)19(22)24(14)23-5-7-26-8-6-23/h3-4,9,17H,5-8,10-11,22H2,1-2H3
InChIKeyKCFBLAQLXYTPKO-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.73
Rot. Bonds2

About 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 4076918) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID4076918
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1cccs1
InChIInChI=1S/C20H24N4O2S/c1-20(2)10-14-18(15(25)11-20)17(16-4-3-9-27-16)13(12-21)19(22)24(14)23-5-7-26-8-6-23/h3-4,9,17H,5-8,10-11,22H2,1-2H3
InChIKeyKCFBLAQLXYTPKO-UHFFFAOYSA-N
XLogP2.73
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 4076918) is 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1cccs1.
What is the InChIKey of 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is KCFBLAQLXYTPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(2)10-14-18(15(25)11-20)17(16-4-3-9-27-16)13(12-21)19(22)24(14)23-5-7-26-8-6-23/h3-4,9,17H,5-8,10-11,22H2,1-2H3.
What are the key properties of 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 384.51 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 4076918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).