7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide

C25H21N5O3 — CID 70681173

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide
SMILESCOc1cc2c(Nc3cccc4cccnc34)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C25H21N5O3/c1-13-22(14(2)33-30-13)17-10-20-16(11-21(17)32-3)24(18(12-28-20)25(26)31)29-19-8-4-6-15-7-5-9-27-23(15)19/h4-12H,1-3H3,(H2,26,31)(H,28,29)
InChIKeyUJPOOIUOVCPCTL-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.91
Rot. Bonds5

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide (PubChem CID 70681173) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide
PubChem CID70681173
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide
SMILESCOc1cc2c(Nc3cccc4cccnc34)c(C(N)=O)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C25H21N5O3/c1-13-22(14(2)33-30-13)17-10-20-16(11-21(17)32-3)24(18(12-28-20)25(26)31)29-19-8-4-6-15-7-5-9-27-23(15)19/h4-12H,1-3H3,(H2,26,31)(H,28,29)
InChIKeyUJPOOIUOVCPCTL-UHFFFAOYSA-N
XLogP4.91
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide (CID 70681173) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide is COc1cc2c(Nc3cccc4cccnc34)c(C(N)=O)cnc2cc1-c1c(C)noc1C.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide?
The InChIKey is UJPOOIUOVCPCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-13-22(14(2)33-30-13)17-10-20-16(11-21(17)32-3)24(18(12-28-20)25(26)31)29-19-8-4-6-15-7-5-9-27-23(15)19/h4-12H,1-3H3,(H2,26,31)(H,28,29).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-(quinolin-8-ylamino)quinoline-3-carboxamide is sourced from PubChem (CID 70681173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).