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

C24H19N5O2 — CID 44530114

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(Nc3nccc4ccccc34)c(C(N)=O)cnc2c1
InChIInChI=1S/C24H19N5O2/c1-13-21(14(2)31-29-13)16-7-8-18-20(11-16)27-12-19(23(25)30)22(18)28-24-17-6-4-3-5-15(17)9-10-26-24/h3-12H,1-2H3,(H2,25,30)(H,26,27,28)
InChIKeyALKMLKXISSQUQH-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.90
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide (PubChem CID 44530114) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide
PubChem CID44530114
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(Nc3nccc4ccccc34)c(C(N)=O)cnc2c1
InChIInChI=1S/C24H19N5O2/c1-13-21(14(2)31-29-13)16-7-8-18-20(11-16)27-12-19(23(25)30)22(18)28-24-17-6-4-3-5-15(17)9-10-26-24/h3-12H,1-2H3,(H2,25,30)(H,26,27,28)
InChIKeyALKMLKXISSQUQH-UHFFFAOYSA-N
XLogP4.90
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide (CID 44530114) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide is Cc1noc(C)c1-c1ccc2c(Nc3nccc4ccccc34)c(C(N)=O)cnc2c1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide?
The InChIKey is ALKMLKXISSQUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-13-21(14(2)31-29-13)16-7-8-18-20(11-16)27-12-19(23(25)30)22(18)28-24-17-6-4-3-5-15(17)9-10-26-24/h3-12H,1-2H3,(H2,25,30)(H,26,27,28).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(isoquinolin-1-ylamino)quinoline-3-carboxamide is sourced from PubChem (CID 44530114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).