4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide

C25H26N6O4 — CID 142410696

IUPAC4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2cc1C(N)=O
InChIInChI=1S/C25H26N6O4/c1-25(2,3)21-13-22(31-35-21)30-24(33)29-15-7-5-14(6-8-15)28-18-9-10-27-19-12-20(34-4)17(23(26)32)11-16(18)19/h5-13H,1-4H3,(H2,26,32)(H,27,28)(H2,29,30,31,33)
InChIKeyFERKIFSFNCBUCQ-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.02
Rot. Bonds6

About 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide

4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide (PubChem CID 142410696) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide
PubChem CID142410696
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2cc1C(N)=O
InChIInChI=1S/C25H26N6O4/c1-25(2,3)21-13-22(31-35-21)30-24(33)29-15-7-5-14(6-8-15)28-18-9-10-27-19-12-20(34-4)17(23(26)32)11-16(18)19/h5-13H,1-4H3,(H2,26,32)(H,27,28)(H2,29,30,31,33)
InChIKeyFERKIFSFNCBUCQ-UHFFFAOYSA-N
XLogP5.02
TPSA144.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide with MolForge

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Related Compounds

4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylanilino]-7-methoxyquinoline-6-carboxamide
CID 142410697
7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide
CID 166521152
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea
CID 135271540
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]urea
CID 56658587
4-[4-[[(5-tert-butyl-1,2-oxazol-3-yl)-methylcarbamoyl]amino]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 142410719
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
CID 59380976
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide (CID 142410696) is 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide?
The InChIKey is FERKIFSFNCBUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-25(2,3)21-13-22(31-35-21)30-24(33)29-15-7-5-14(6-8-15)28-18-9-10-27-19-12-20(34-4)17(23(26)32)11-16(18)19/h5-13H,1-4H3,(H2,26,32)(H,27,28)(H2,29,30,31,33).
What are the key properties of 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide?
4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 142410696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).