tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate

C23H26N4O4 — CID 86934725

IUPACtert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCc1noc2ncc(C(=O)Nc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc12
InChIInChI=1S/C23H26N4O4/c1-5-18-17-11-15(13-24-21(17)31-26-18)20(28)25-16-9-8-14-7-6-10-27(19(14)12-16)22(29)30-23(2,3)4/h8-9,11-13H,5-7,10H2,1-4H3,(H,25,28)
InChIKeyWJUDEONNHYVSBA-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.73
Rot. Bonds3

About tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 86934725) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID86934725
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nametert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCc1noc2ncc(C(=O)Nc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc12
InChIInChI=1S/C23H26N4O4/c1-5-18-17-11-15(13-24-21(17)31-26-18)20(28)25-16-9-8-14-7-6-10-27(19(14)12-16)22(29)30-23(2,3)4/h8-9,11-13H,5-7,10H2,1-4H3,(H,25,28)
InChIKeyWJUDEONNHYVSBA-UHFFFAOYSA-N
XLogP4.73
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-(methylsulfanylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143416963
3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27604624
3-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 134813269
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119438001
N-(2-amino-2-methylpropyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119626084
tert-butyl 7-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 71972891
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
tert-butyl 7-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 113242515
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
tert-butyl 7-[[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 86934733
tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107248618
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate (CID 86934725) is tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate is CCc1noc2ncc(C(=O)Nc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)cc12.
What is the InChIKey of tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is WJUDEONNHYVSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-5-18-17-11-15(13-24-21(17)31-26-18)20(28)25-16-9-8-14-7-6-10-27(19(14)12-16)22(29)30-23(2,3)4/h8-9,11-13H,5-7,10H2,1-4H3,(H,25,28).
What are the key properties of tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 86934725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).