4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one

C23H25N5O2 — CID 16653268

IUPAC4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
SMILESCOc1ccccc1-c1c2c(nc3nc(N4CCCCC4)nc(N)c13)CCCC2=O
InChIInChI=1S/C23H25N5O2/c1-30-17-11-4-3-8-14(17)18-19-15(9-7-10-16(19)29)25-22-20(18)21(24)26-23(27-22)28-12-5-2-6-13-28/h3-4,8,11H,2,5-7,9-10,12-13H2,1H3,(H2,24,25,26,27)
InChIKeySDKLVQYGRUOVSC-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.79
Rot. Bonds3

About 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one

4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one (PubChem CID 16653268) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
PubChem CID16653268
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
SMILESCOc1ccccc1-c1c2c(nc3nc(N4CCCCC4)nc(N)c13)CCCC2=O
InChIInChI=1S/C23H25N5O2/c1-30-17-11-4-3-8-14(17)18-19-15(9-7-10-16(19)29)25-22-20(18)21(24)26-23(27-22)28-12-5-2-6-13-28/h3-4,8,11H,2,5-7,9-10,12-13H2,1H3,(H2,24,25,26,27)
InChIKeySDKLVQYGRUOVSC-UHFFFAOYSA-N
XLogP3.79
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The IUPAC name of 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one (CID 16653268) is 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one is COc1ccccc1-c1c2c(nc3nc(N4CCCCC4)nc(N)c13)CCCC2=O.
What is the InChIKey of 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
The InChIKey is SDKLVQYGRUOVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-30-17-11-4-3-8-14(17)18-19-15(9-7-10-16(19)29)25-22-20(18)21(24)26-23(27-22)28-12-5-2-6-13-28/h3-4,8,11H,2,5-7,9-10,12-13H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one?
4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one has a molecular weight of 403.49 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 16653268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).