6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one

C19H21N3O5 — CID 136601897

IUPAC6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one
SMILESCOCCOc1cc2nc(-c3cccnc3)[nH]c(=O)c2cc1OCCOC
InChIInChI=1S/C19H21N3O5/c1-24-6-8-26-16-10-14-15(11-17(16)27-9-7-25-2)21-18(22-19(14)23)13-4-3-5-20-12-13/h3-5,10-12H,6-9H2,1-2H3,(H,21,22,23)
InChIKeyFRRXAWXBUGYJFJ-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.04
Rot. Bonds9

About 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one

6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one (PubChem CID 136601897) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one
PubChem CID136601897
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one
SMILESCOCCOc1cc2nc(-c3cccnc3)[nH]c(=O)c2cc1OCCOC
InChIInChI=1S/C19H21N3O5/c1-24-6-8-26-16-10-14-15(11-17(16)27-9-7-25-2)21-18(22-19(14)23)13-4-3-5-20-12-13/h3-5,10-12H,6-9H2,1-2H3,(H,21,22,23)
InChIKeyFRRXAWXBUGYJFJ-UHFFFAOYSA-N
XLogP2.04
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 146308802
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
N-[3-(difluoromethoxy)phenyl]-7-methoxy-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180101
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 167846202
5-fluoro-7-(2-methoxyethoxy)-2-phenyl-3H-quinazolin-4-one
CID 178046218
3,5-bis[10-[2,4-bis(2-methoxyethoxy)-5-(10-pyridin-3-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 132565140
[3-(4-oxo-3H-pyrido[4,3-d]pyrimidin-2-yl)phenyl] acetate
CID 135999577
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-pyridin-3-yl-3,4,5,6-tetrahydroimidazo[4,5-c]pyridin-7-one
CID 96612175
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one (CID 136601897) is 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one is COCCOc1cc2nc(-c3cccnc3)[nH]c(=O)c2cc1OCCOC.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one?
The InChIKey is FRRXAWXBUGYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-24-6-8-26-16-10-14-15(11-17(16)27-9-7-25-2)21-18(22-19(14)23)13-4-3-5-20-12-13/h3-5,10-12H,6-9H2,1-2H3,(H,21,22,23).
What are the key properties of 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one?
6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one has a molecular weight of 371.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one is sourced from PubChem (CID 136601897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).