N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide

C23H21ClN4O2 — CID 2220460

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3cc(C(C)(C)C)on3)cc(-c3ccccn3)nc12
InChIInChI=1S/C23H21ClN4O2/c1-13-16(24)9-8-14-15(11-18(26-21(13)14)17-7-5-6-10-25-17)22(29)27-20-12-19(30-28-20)23(2,3)4/h5-12H,1-4H3,(H,27,28,29)
InChIKeyQKCWGPACWPETIE-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.80
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2220460) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2220460
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)Nc3cc(C(C)(C)C)on3)cc(-c3ccccn3)nc12
InChIInChI=1S/C23H21ClN4O2/c1-13-16(24)9-8-14-15(11-18(26-21(13)14)17-7-5-6-10-25-17)22(29)27-20-12-19(30-28-20)23(2,3)4/h5-12H,1-4H3,(H,27,28,29)
InChIKeyQKCWGPACWPETIE-UHFFFAOYSA-N
XLogP5.80
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 2220460) is N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)Nc3cc(C(C)(C)C)on3)cc(-c3ccccn3)nc12.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is QKCWGPACWPETIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-13-16(24)9-8-14-15(11-18(26-21(13)14)17-7-5-6-10-25-17)22(29)27-20-12-19(30-28-20)23(2,3)4/h5-12H,1-4H3,(H,27,28,29).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).