5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one

C16H20ClN3O4 — CID 154631494

IUPAC5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
SMILESCOc1cc2nc[nH]c(=O)c2c(Cl)c1OCCCN1CCOCC1
InChIInChI=1S/C16H20ClN3O4/c1-22-12-9-11-13(16(21)19-10-18-11)14(17)15(12)24-6-2-3-20-4-7-23-8-5-20/h9-10H,2-8H2,1H3,(H,18,19,21)
InChIKeyRLRKMZIRHHBZRE-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.69
Rot. Bonds6

About 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one

5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one (PubChem CID 154631494) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
PubChem CID154631494
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
SMILESCOc1cc2nc[nH]c(=O)c2c(Cl)c1OCCCN1CCOCC1
InChIInChI=1S/C16H20ClN3O4/c1-22-12-9-11-13(16(21)19-10-18-11)14(17)15(12)24-6-2-3-20-4-7-23-8-5-20/h9-10H,2-8H2,1H3,(H,18,19,21)
InChIKeyRLRKMZIRHHBZRE-UHFFFAOYSA-N
XLogP1.69
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
CID 154256825
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine
CID 162666117
8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one
CID 141053579
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
CID 135496860
1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one
CID 141436126
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
3-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187528
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The IUPAC name of 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one (CID 154631494) is 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The canonical SMILES for 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one is COc1cc2nc[nH]c(=O)c2c(Cl)c1OCCCN1CCOCC1.
What is the InChIKey of 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The InChIKey is RLRKMZIRHHBZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-22-12-9-11-13(16(21)19-10-18-11)14(17)15(12)24-6-2-3-20-4-7-23-8-5-20/h9-10H,2-8H2,1H3,(H,18,19,21).
What are the key properties of 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one has a molecular weight of 353.81 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 154631494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).