7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide

C22H20N4O2 — CID 70693762

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide
SMILESCc1ccccc1Nc1c(C(N)=O)cnc2cc(-c3c(C)noc3C)ccc12
InChIInChI=1S/C22H20N4O2/c1-12-6-4-5-7-18(12)25-21-16-9-8-15(20-13(2)26-28-14(20)3)10-19(16)24-11-17(21)22(23)27/h4-11H,1-3H3,(H2,23,27)(H,24,25)
InChIKeyKSULBZSCCYYFHF-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.66
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide (PubChem CID 70693762) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide
PubChem CID70693762
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide
SMILESCc1ccccc1Nc1c(C(N)=O)cnc2cc(-c3c(C)noc3C)ccc12
InChIInChI=1S/C22H20N4O2/c1-12-6-4-5-7-18(12)25-21-16-9-8-15(20-13(2)26-28-14(20)3)10-19(16)24-11-17(21)22(23)27/h4-11H,1-3H3,(H2,23,27)(H,24,25)
InChIKeyKSULBZSCCYYFHF-UHFFFAOYSA-N
XLogP4.66
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide (CID 70693762) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide is Cc1ccccc1Nc1c(C(N)=O)cnc2cc(-c3c(C)noc3C)ccc12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide?
The InChIKey is KSULBZSCCYYFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-12-6-4-5-7-18(12)25-21-16-9-8-15(20-13(2)26-28-14(20)3)10-19(16)24-11-17(21)22(23)27/h4-11H,1-3H3,(H2,23,27)(H,24,25).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-methylanilino)quinoline-3-carboxamide is sourced from PubChem (CID 70693762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).