6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

C27H27N2O4P — CID 166527168

IUPAC6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCOc1ccc(P(=O)(CC2CCCn3c2nc2ccccc2c3=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H27N2O4P/c1-32-20-9-13-22(14-10-20)34(31,23-15-11-21(33-2)12-16-23)18-19-6-5-17-29-26(19)28-25-8-4-3-7-24(25)27(29)30/h3-4,7-16,19H,5-6,17-18H2,1-2H3
InChIKeyACGMTEVPJGVXDZ-UHFFFAOYSA-N
MW474.50 g/mol
LogP4.31
Rot. Bonds6

About 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 166527168) has the molecular formula C27H27N2O4P and a molecular weight of 474.50 g/mol. Its IUPAC name is 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
PubChem CID166527168
Molecular FormulaC27H27N2O4P
Molecular Weight474.50 g/mol
Exact Mass474.17
IUPAC Name6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCOc1ccc(P(=O)(CC2CCCn3c2nc2ccccc2c3=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H27N2O4P/c1-32-20-9-13-22(14-10-20)34(31,23-15-11-21(33-2)12-16-23)18-19-6-5-17-29-26(19)28-25-8-4-3-7-24(25)27(29)30/h3-4,7-16,19H,5-6,17-18H2,1-2H3
InChIKeyACGMTEVPJGVXDZ-UHFFFAOYSA-N
XLogP4.31
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one with MolForge

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Related Compounds

Yil781
CID 23631116
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
CID 11567596
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
CID 11618024
3-Benzyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11641036
3-Isopropyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11668594
3-Ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11689687
2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]propyl}oxy)phenyl]-4(3H)-quinazolinone
CID 24951038
2-[4-(3-Piperidin-1-ylpropoxy)phenyl]-3-phenyl-4(3H)-quinazolinone
CID 44563063
4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 708934
4(3H)-Quinazolinone, 3-(((4-methoxyphenyl)methylene)amino)-2-phenyl-
CID 9571030

Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (CID 166527168) is 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is COc1ccc(P(=O)(CC2CCCn3c2nc2ccccc2c3=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is ACGMTEVPJGVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N2O4P/c1-32-20-9-13-22(14-10-20)34(31,23-15-11-21(33-2)12-16-23)18-19-6-5-17-29-26(19)28-25-8-4-3-7-24(25)27(29)30/h3-4,7-16,19H,5-6,17-18H2,1-2H3.
What are the key properties of 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 474.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-methoxyphenyl)phosphorylmethyl]-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 166527168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).