N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide

C23H21N3O3 — CID 4649795

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)no1
InChIInChI=1S/C23H21N3O3/c1-14(2)28-17-10-8-16(9-11-17)21-13-19(18-6-4-5-7-20(18)24-21)23(27)25-22-12-15(3)29-26-22/h4-14H,1-3H3,(H,25,26,27)
InChIKeyWBZRHYRXZZAKOM-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.24
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide (PubChem CID 4649795) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
PubChem CID4649795
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)no1
InChIInChI=1S/C23H21N3O3/c1-14(2)28-17-10-8-16(9-11-17)21-13-19(18-6-4-5-7-20(18)24-21)23(27)25-22-12-15(3)29-26-22/h4-14H,1-3H3,(H,25,26,27)
InChIKeyWBZRHYRXZZAKOM-UHFFFAOYSA-N
XLogP5.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide (CID 4649795) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The InChIKey is WBZRHYRXZZAKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14(2)28-17-10-8-16(9-11-17)21-13-19(18-6-4-5-7-20(18)24-21)23(27)25-22-12-15(3)29-26-22/h4-14H,1-3H3,(H,25,26,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4649795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).