tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C19H23N3O4 — CID 166066210

IUPACtert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1cc2nc[nH]c(=O)c2cc1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)26-18(24)22-7-5-12(6-8-22)13-9-14-15(10-16(13)25-4)20-11-21-17(14)23/h5,9-11H,6-8H2,1-4H3,(H,20,21,23)
InChIKeyVFXSHYGDBYXXOG-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.96
Rot. Bonds2

About tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 166066210) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID166066210
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nametert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1cc2nc[nH]c(=O)c2cc1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)26-18(24)22-7-5-12(6-8-22)13-9-14-15(10-16(13)25-4)20-11-21-17(14)23/h5,9-11H,6-8H2,1-4H3,(H,20,21,23)
InChIKeyVFXSHYGDBYXXOG-UHFFFAOYSA-N
XLogP2.96
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-(5-bromo-4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90326965
tert-butyl 4-(6-formyl-5-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 165370822
tert-butyl 4-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]piperidine-1-carboxylate
CID 172784029
tert-butyl 4-[3-cyano-4-(2-fluoro-4-methylanilino)-7-methoxycinnolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 67084327
tert-butyl 4-[4-[[3-chloro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]amino]-2-methoxyphenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 165118345
tert-butyl 4-[(7-ethoxy-4-oxo-3H-quinazolin-6-yl)amino]piperidine-1-carboxylate
CID 164869876
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]quinazoline-7-carboxylic acid
CID 139469222
tert-butyl 4-(2-amino-5-bromo-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155425853
tert-butyl 7-hydroxy-8-methoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyrido[4,3-b]indole-5-carboxylate
CID 137356281
tert-butyl 4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12072032
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 4-[5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122602748

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 166066210) is tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is COc1cc2nc[nH]c(=O)c2cc1C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is VFXSHYGDBYXXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)26-18(24)22-7-5-12(6-8-22)13-9-14-15(10-16(13)25-4)20-11-21-17(14)23/h5,9-11H,6-8H2,1-4H3,(H,20,21,23).
What are the key properties of tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-methoxy-4-oxo-3H-quinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 166066210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).