2-pentoxyquinoline;1H-quinazolin-2-one

C22H23N3O2 — CID 174765854

IUPAC2-pentoxyquinoline;1H-quinazolin-2-one
SMILESCCCCCOc1ccc2ccccc2n1.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C14H17NO.C8H6N2O/c1-2-3-6-11-16-14-10-9-12-7-4-5-8-13(12)15-14;11-8-9-5-6-3-1-2-4-7(6)10-8/h4-5,7-10H,2-3,6,11H2,1H3;1-5H,(H,9,10,11)
InChIKeyPAACIHIECLNSKQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.73
Rot. Bonds5

About 2-pentoxyquinoline;1H-quinazolin-2-one

2-pentoxyquinoline;1H-quinazolin-2-one (PubChem CID 174765854) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-pentoxyquinoline;1H-quinazolin-2-one.

Molecular Properties

Compound Name2-pentoxyquinoline;1H-quinazolin-2-one
PubChem CID174765854
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-pentoxyquinoline;1H-quinazolin-2-one
SMILESCCCCCOc1ccc2ccccc2n1.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C14H17NO.C8H6N2O/c1-2-3-6-11-16-14-10-9-12-7-4-5-8-13(12)15-14;11-8-9-5-6-3-1-2-4-7(6)10-8/h4-5,7-10H,2-3,6,11H2,1H3;1-5H,(H,9,10,11)
InChIKeyPAACIHIECLNSKQ-UHFFFAOYSA-N
XLogP4.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 69076940
2-quinolin-2-yloxyethanol
CID 19898678
7-(4-hydroxybutoxy)-1H-pyrido[2,3-d]pyrimidin-2-one
CID 21073840
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Frequently Asked Questions

What is the IUPAC name of 2-pentoxyquinoline;1H-quinazolin-2-one?
The IUPAC name of 2-pentoxyquinoline;1H-quinazolin-2-one (CID 174765854) is 2-pentoxyquinoline;1H-quinazolin-2-one.
What is the SMILES notation for 2-pentoxyquinoline;1H-quinazolin-2-one?
The canonical SMILES for 2-pentoxyquinoline;1H-quinazolin-2-one is CCCCCOc1ccc2ccccc2n1.O=c1ncc2ccccc2[nH]1.
What is the InChIKey of 2-pentoxyquinoline;1H-quinazolin-2-one?
The InChIKey is PAACIHIECLNSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C8H6N2O/c1-2-3-6-11-16-14-10-9-12-7-4-5-8-13(12)15-14;11-8-9-5-6-3-1-2-4-7(6)10-8/h4-5,7-10H,2-3,6,11H2,1H3;1-5H,(H,9,10,11).
What are the key properties of 2-pentoxyquinoline;1H-quinazolin-2-one?
2-pentoxyquinoline;1H-quinazolin-2-one has a molecular weight of 361.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyquinoline;1H-quinazolin-2-one is sourced from PubChem (CID 174765854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).