3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate

C22H18N2O3 — CID 30338758

IUPAC3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
SMILESO=C(OCCCn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O3/c25-21-19-8-3-4-9-20(19)23-15-24(21)12-5-13-27-22(26)18-11-10-16-6-1-2-7-17(16)14-18/h1-4,6-11,14-15H,5,12-13H2
InChIKeyGKCJPMPRYGWAHH-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.80
Rot. Bonds5

About 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate

3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate (PubChem CID 30338758) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
PubChem CID30338758
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
SMILESO=C(OCCCn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O3/c25-21-19-8-3-4-9-20(19)23-15-24(21)12-5-13-27-22(26)18-11-10-16-6-1-2-7-17(16)14-18/h1-4,6-11,14-15H,5,12-13H2
InChIKeyGKCJPMPRYGWAHH-UHFFFAOYSA-N
XLogP3.80
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxoquinazolin-3-yl)propyl 4-chlorobenzoate
CID 30338391
3-(4-oxoquinazolin-3-yl)propyl 3-butoxybenzoate
CID 30338475
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-(4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate
CID 30338582
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
CID 30466913
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
CID 30337827
3-[3-(1,3-benzodioxol-5-yloxy)propyl]quinazolin-4-one
CID 60593195
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531
3-[3-(3-nitrophenoxy)propyl]quinazolin-4-one
CID 2995196
3-[3-(2,3,5-trimethylphenoxy)propyl]quinazolin-4-one
CID 2216367
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate (CID 30338758) is 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate is O=C(OCCCn1cnc2ccccc2c1=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate?
The InChIKey is GKCJPMPRYGWAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21-19-8-3-4-9-20(19)23-15-24(21)12-5-13-27-22(26)18-11-10-16-6-1-2-7-17(16)14-18/h1-4,6-11,14-15H,5,12-13H2.
What are the key properties of 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate?
3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate is sourced from PubChem (CID 30338758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).