ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride

C15H17ClN2O3 — CID 13381227

IUPACethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3.Cl
InChIInChI=1S/C15H16N2O3.ClH/c1-2-20-15(19)10-6-7-11-12(9-10)16-13-5-3-4-8-17(13)14(11)18;/h6-7,9H,2-5,8H2,1H3;1H
InChIKeyFQJIJHSQMOHQRO-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.33
Rot. Bonds2

About ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride

ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride (PubChem CID 13381227) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride
PubChem CID13381227
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Nameethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3.Cl
InChIInChI=1S/C15H16N2O3.ClH/c1-2-20-15(19)10-6-7-11-12(9-10)16-13-5-3-4-8-17(13)14(11)18;/h6-7,9H,2-5,8H2,1H3;1H
InChIKeyFQJIJHSQMOHQRO-UHFFFAOYSA-N
XLogP2.33
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride with MolForge

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Related Compounds

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 4788606
methyl 4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]benzoate
CID 135681156
Methyl 3-ethyl-2-(ethylthio)-4-oxo-3,4-dihydro-7-quinazolinecarboxylate
CID 687986
Methyl 2-(4-carbamoylpiperidin-1-yl)-4-oxo-3,1-benzothiazine-7-carboxylate
CID 3245695
Methyl 2-(chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
CID 135520070
9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 2394026
Methyl 4-(4-oxo-3,4-dihydroquinazolin-2-YL)benzoate
CID 135476431
(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135424355
Methyl 4-[(4-oxoquinazolin-3-yl)methyl]benzoate
CID 644885
ethyl 4-[(4-oxo-3(4H)-quinazolinyl)methyl]benzoate
CID 977664
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2110246
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2458080

Frequently Asked Questions

What is the IUPAC name of ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride (CID 13381227) is ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride is CCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3.Cl.
What is the InChIKey of ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride?
The InChIKey is FQJIJHSQMOHQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3.ClH/c1-2-20-15(19)10-6-7-11-12(9-10)16-13-5-3-4-8-17(13)14(11)18;/h6-7,9H,2-5,8H2,1H3;1H.
What are the key properties of ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride?
ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride has a molecular weight of 308.77 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 13381227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).