3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide

C20H18ClN3O2S — CID 1321989

IUPAC3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccc(Cl)cc4)sc3nc2C1
InChIInChI=1S/C20H18ClN3O2S/c1-20(2)8-14-12(15(25)9-20)7-13-16(22)17(27-19(13)24-14)18(26)23-11-5-3-10(21)4-6-11/h3-7H,8-9,22H2,1-2H3,(H,23,26)
InChIKeyIPCPKYPXYRGGCE-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.94
Rot. Bonds2

About 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1321989) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID1321989
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccc(Cl)cc4)sc3nc2C1
InChIInChI=1S/C20H18ClN3O2S/c1-20(2)8-14-12(15(25)9-20)7-13-16(22)17(27-19(13)24-14)18(26)23-11-5-3-10(21)4-6-11/h3-7H,8-9,22H2,1-2H3,(H,23,26)
InChIKeyIPCPKYPXYRGGCE-UHFFFAOYSA-N
XLogP4.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide (CID 1321989) is 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide is CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccc(Cl)cc4)sc3nc2C1.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is IPCPKYPXYRGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-20(2)8-14-12(15(25)9-20)7-13-16(22)17(27-19(13)24-14)18(26)23-11-5-3-10(21)4-6-11/h3-7H,8-9,22H2,1-2H3,(H,23,26).
What are the key properties of 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1321989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).