4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide

C27H27N3O4 — CID 68758208

IUPAC4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide
SMILESCOc1ccc(-c2cc(C(C)(C)C)c(OC)c3cc(-c4ccc(C(N)=O)cc4)cnc23)c(=O)[nH]1
InChIInChI=1S/C27H27N3O4/c1-27(2,3)21-13-19(18-10-11-22(33-4)30-26(18)32)23-20(24(21)34-5)12-17(14-29-23)15-6-8-16(9-7-15)25(28)31/h6-14H,1-5H3,(H2,28,31)(H,30,32)
InChIKeyWTERZHCEGAOWPY-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.67
Rot. Bonds5

About 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide

4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide (PubChem CID 68758208) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide
PubChem CID68758208
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide
SMILESCOc1ccc(-c2cc(C(C)(C)C)c(OC)c3cc(-c4ccc(C(N)=O)cc4)cnc23)c(=O)[nH]1
InChIInChI=1S/C27H27N3O4/c1-27(2,3)21-13-19(18-10-11-22(33-4)30-26(18)32)23-20(24(21)34-5)12-17(14-29-23)15-6-8-16(9-7-15)25(28)31/h6-14H,1-5H3,(H2,28,31)(H,30,32)
InChIKeyWTERZHCEGAOWPY-UHFFFAOYSA-N
XLogP4.67
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzenesulfonic acid
CID 123981263
4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
CID 67287928
2-[(3S)-1-[6-tert-butyl-5-methoxy-8-(6-methyl-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl]ethanesulfonamide
CID 140558006
N-[4-[6-tert-butyl-8-(3-chloro-6-oxocyclohexa-1,3-dien-1-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide
CID 58536779
4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 46234350
6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline
CID 58536724
3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one
CID 91173775
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
CID 67287306
4-[(5-methoxy-1H-pyrrol-2-yl)oxy]benzamide
CID 142116928
4-(2-tert-butyl-1H-imidazol-5-yl)benzamide
CID 59836529
methyl 2-[(E)-2-[3-tert-butyl-2-methoxy-5-(6-methoxy-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-5-(methanesulfonamido)benzoate
CID 67287587

Frequently Asked Questions

What is the IUPAC name of 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide?
The IUPAC name of 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide (CID 68758208) is 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide.
What is the SMILES notation for 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide?
The canonical SMILES for 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide is COc1ccc(-c2cc(C(C)(C)C)c(OC)c3cc(-c4ccc(C(N)=O)cc4)cnc23)c(=O)[nH]1.
What is the InChIKey of 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide?
The InChIKey is WTERZHCEGAOWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-27(2,3)21-13-19(18-10-11-22(33-4)30-26(18)32)23-20(24(21)34-5)12-17(14-29-23)15-6-8-16(9-7-15)25(28)31/h6-14H,1-5H3,(H2,28,31)(H,30,32).
What are the key properties of 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide?
4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide has a molecular weight of 457.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide is sourced from PubChem (CID 68758208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).