N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

C25H23ClN4O2S — CID 123327721

IUPACN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)c1cnc(N2CCCCC2)s1
InChIInChI=1S/C25H23ClN4O2S/c26-17-9-10-18-20(13-17)27-14-19(23(18)31)22(16-7-3-1-4-8-16)29-24(32)21-15-28-25(33-21)30-11-5-2-6-12-30/h1,3-4,7-10,13-15,22H,2,5-6,11-12H2,(H,27,31)(H,29,32)
InChIKeyBFRCPYOUABPKCB-UHFFFAOYSA-N
MW479.01 g/mol
LogP5.15
Rot. Bonds5

About N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 123327721) has the molecular formula C25H23ClN4O2S and a molecular weight of 479.01 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID123327721
Molecular FormulaC25H23ClN4O2S
Molecular Weight479.01 g/mol
Exact Mass478.12
IUPAC NameN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)c1cnc(N2CCCCC2)s1
InChIInChI=1S/C25H23ClN4O2S/c26-17-9-10-18-20(13-17)27-14-19(23(18)31)22(16-7-3-1-4-8-16)29-24(32)21-15-28-25(33-21)30-11-5-2-6-12-30/h1,3-4,7-10,13-15,22H,2,5-6,11-12H2,(H,27,31)(H,29,32)
InChIKeyBFRCPYOUABPKCB-UHFFFAOYSA-N
XLogP5.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.01
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

(2-morpholin-4-yl-1,3-thiazol-5-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597198
piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597279
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 123871770
6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide
CID 123500701
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide
CID 71208128
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 71208528
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 123588831
(1-methylpyrazol-4-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597244
tert-butyl 3-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71208614
methyl 4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxylate
CID 71208737
tert-butyl N-[4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexyl]carbamate
CID 71208469
(2R)-2-(4-benzhydrylpiperazin-1-yl)-2-(6-chloro-1H-indol-3-yl)acetic acid
CID 29111306

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (CID 123327721) is N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is O=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)c1cnc(N2CCCCC2)s1.
What is the InChIKey of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BFRCPYOUABPKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2S/c26-17-9-10-18-20(13-17)27-14-19(23(18)31)22(16-7-3-1-4-8-16)29-24(32)21-15-28-25(33-21)30-11-5-2-6-12-30/h1,3-4,7-10,13-15,22H,2,5-6,11-12H2,(H,27,31)(H,29,32).
What are the key properties of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 479.01 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123327721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).