N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide

C21H21N5O2 — CID 19584399

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3c(C)noc3C)c3ccccc3n2)c(C)n1
InChIInChI=1S/C21H21N5O2/c1-5-26-11-17(12(2)24-26)19-10-16(15-8-6-7-9-18(15)22-19)21(27)23-20-13(3)25-28-14(20)4/h6-11H,5H2,1-4H3,(H,23,27)
InChIKeyIOXQDNPNEMCDRY-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.28
Rot. Bonds4

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19584399) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19584399
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3c(C)noc3C)c3ccccc3n2)c(C)n1
InChIInChI=1S/C21H21N5O2/c1-5-26-11-17(12(2)24-26)19-10-16(15-8-6-7-9-18(15)22-19)21(27)23-20-13(3)25-28-14(20)4/h6-11H,5H2,1-4H3,(H,23,27)
InChIKeyIOXQDNPNEMCDRY-UHFFFAOYSA-N
XLogP4.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19584399) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)Nc3c(C)noc3C)c3ccccc3n2)c(C)n1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is IOXQDNPNEMCDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-5-26-11-17(12(2)24-26)19-10-16(15-8-6-7-9-18(15)22-19)21(27)23-20-13(3)25-28-14(20)4/h6-11H,5H2,1-4H3,(H,23,27).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19584399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).