7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide

C28H29N5O4 — CID 70685378

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide
SMILESCOc1cc2c(Nc3ccccc3C(=O)N3CCCCC3)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C28H29N5O4/c1-16-25(17(2)37-32-16)20-13-23-19(14-24(20)36-3)26(21(15-30-23)27(29)34)31-22-10-6-5-9-18(22)28(35)33-11-7-4-8-12-33/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H2,29,34)(H,30,31)
InChIKeyJBGVCJHAJVIUSF-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.98
Rot. Bonds6

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide (PubChem CID 70685378) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide
PubChem CID70685378
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide
SMILESCOc1cc2c(Nc3ccccc3C(=O)N3CCCCC3)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C28H29N5O4/c1-16-25(17(2)37-32-16)20-13-23-19(14-24(20)36-3)26(21(15-30-23)27(29)34)31-22-10-6-5-9-18(22)28(35)33-11-7-4-8-12-33/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H2,29,34)(H,30,31)
InChIKeyJBGVCJHAJVIUSF-UHFFFAOYSA-N
XLogP4.98
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide (CID 70685378) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide is COc1cc2c(Nc3ccccc3C(=O)N3CCCCC3)c(C(N)=O)cnc2cc1-c1c(C)noc1C.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide?
The InChIKey is JBGVCJHAJVIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-16-25(17(2)37-32-16)20-13-23-19(14-24(20)36-3)26(21(15-30-23)27(29)34)31-22-10-6-5-9-18(22)28(35)33-11-7-4-8-12-33/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H2,29,34)(H,30,31).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[2-(piperidine-1-carbonyl)anilino]quinoline-3-carboxamide is sourced from PubChem (CID 70685378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).