7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C23H25ClN4OS — CID 108799662

IUPAC7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)s1
InChIInChI=1S/C23H25ClN4OS/c1-14-5-2-3-10-28(14)13-16-12-25-23(30-16)27-22(29)21-17-6-4-7-19(17)26-20-9-8-15(24)11-18(20)21/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,25,27,29)
InChIKeyGCSIRHRKQVFJHC-UHFFFAOYSA-N
MW441.00 g/mol
LogP5.46
Rot. Bonds4

About 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108799662) has the molecular formula C23H25ClN4OS and a molecular weight of 441.00 g/mol. Its IUPAC name is 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108799662
Molecular FormulaC23H25ClN4OS
Molecular Weight441.00 g/mol
Exact Mass440.14
IUPAC Name7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)s1
InChIInChI=1S/C23H25ClN4OS/c1-14-5-2-3-10-28(14)13-16-12-25-23(30-16)27-22(29)21-17-6-4-7-19(17)26-20-9-8-15(24)11-18(20)21/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,25,27,29)
InChIKeyGCSIRHRKQVFJHC-UHFFFAOYSA-N
XLogP5.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.00
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799640
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
N-(1,3-benzothiazol-2-yl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799492
7-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799665
7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809760
4-(1,3-dioxoisoindol-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767940
7-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 26197572
2-(2-chlorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108767954
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108768000
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767931

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108799662) is 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CC1CCCCN1Cc1cnc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)s1.
What is the InChIKey of 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is GCSIRHRKQVFJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4OS/c1-14-5-2-3-10-28(14)13-16-12-25-23(30-16)27-22(29)21-17-6-4-7-19(17)26-20-9-8-15(24)11-18(20)21/h8-9,11-12,14H,2-7,10,13H2,1H3,(H,25,27,29).
What are the key properties of 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 441.00 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108799662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).