4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide

C27H27ClN4O5 — CID 157343750

IUPAC4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)N(C)c4cc(C(C)(C)C)on4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C27H27ClN4O5/c1-27(2,3)23-14-24(31-37-23)32(4)25(33)10-15-6-7-16(11-19(15)28)36-21-8-9-30-20-13-22(35-5)18(26(29)34)12-17(20)21/h6-9,11-14H,10H2,1-5H3,(H2,29,34)
InChIKeyRZYIETRMJOYUMZ-UHFFFAOYSA-N
MW522.99 g/mol
LogP5.28
Rot. Bonds7

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

4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 157343750) has the molecular formula C27H27ClN4O5 and a molecular weight of 522.99 g/mol. Its IUPAC name is 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID157343750
Molecular FormulaC27H27ClN4O5
Molecular Weight522.99 g/mol
Exact Mass522.17
IUPAC Name4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)N(C)c4cc(C(C)(C)C)on4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C27H27ClN4O5/c1-27(2,3)23-14-24(31-37-23)32(4)25(33)10-15-6-7-16(11-19(15)28)36-21-8-9-30-20-13-22(35-5)18(26(29)34)12-17(20)21/h6-9,11-14H,10H2,1-5H3,(H2,29,34)
InChIKeyRZYIETRMJOYUMZ-UHFFFAOYSA-N
XLogP5.28
TPSA120.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.99
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[2-Chloro-4-[7-methoxy-6-(1-prop-2-enoylpiperidin-4-yl)quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 172465310
4-(3-Chloro-4-nitrophenoxy)-7-methoxy-6-quinolinecarboxamide
CID 134333828
4-(4-chloro-2-fluorophenoxy)-7-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-6-carboxamide
CID 9825419
4-[3-Chloro-4-(2-fluoroethylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 16718754
4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-N-(2-fluoroethyl)-7-methoxyquinoline-6-carboxamide
CID 22936286
4-(3-Chloro-4-ureidophenoxy)-7-methoxyquinoline-6-carboxamide
CID 22936448
4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-fluoroethyl)-7-methoxyquinoline-6-carboxamide
CID 22936967
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58272378
Lenvatinib N-Oxide
CID 101562919
4-[3-Chloro-2-fluoro-4-[(3-fluoropyrrolidine-1-carbonyl)amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333829
4-[3-chloro-2-fluoro-4-[[(3S)-3-fluoropyrrolidine-1-carbonyl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333924
4-[3-Chloro-2-fluoro-4-(pyrrolidine-1-carbonylamino)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333947

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide (CID 157343750) is 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)N(C)c4cc(C(C)(C)C)on4)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is RZYIETRMJOYUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O5/c1-27(2,3)23-14-24(31-37-23)32(4)25(33)10-15-6-7-16(11-19(15)28)36-21-8-9-30-20-13-22(35-5)18(26(29)34)12-17(20)21/h6-9,11-14H,10H2,1-5H3,(H2,29,34).
What are the key properties of 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 522.99 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)-methylamino]-2-oxoethyl]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 157343750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).