6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

C20H21N3O — CID 22048047

IUPAC6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCC(NC1CCCn2c1nc1ccccc1c2=O)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-14(15-8-3-2-4-9-15)21-18-12-7-13-23-19(18)22-17-11-6-5-10-16(17)20(23)24/h2-6,8-11,14,18,21H,7,12-13H2,1H3
InChIKeyWGCSEKDXQAVBIT-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.58
Rot. Bonds3

About 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 22048047) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
PubChem CID22048047
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCC(NC1CCCn2c1nc1ccccc1c2=O)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-14(15-8-3-2-4-9-15)21-18-12-7-13-23-19(18)22-17-11-6-5-10-16(17)20(23)24/h2-6,8-11,14,18,21H,7,12-13H2,1H3
InChIKeyWGCSEKDXQAVBIT-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (CID 22048047) is 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is CC(NC1CCCn2c1nc1ccccc1c2=O)c1ccccc1.
What is the InChIKey of 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is WGCSEKDXQAVBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(15-8-3-2-4-9-15)21-18-12-7-13-23-19(18)22-17-11-6-5-10-16(17)20(23)24/h2-6,8-11,14,18,21H,7,12-13H2,1H3.
What are the key properties of 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 319.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethylamino)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 22048047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).