(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one

C23H27N5O2 — CID 29109908

IUPAC(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
SMILESCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(N3CCCCC3)nc(N)c21
InChIInChI=1S/C23H27N5O2/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/h3-4,8,11,18H,2,5-7,9-10,12-13H2,1H3,(H3,24,25,26,27)/t18-/m1/s1
InChIKeyHZIHEEUIBWHFQD-GOSISDBHSA-N
MW405.50 g/mol
LogP3.62
Rot. Bonds3

About (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one

(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one (PubChem CID 29109908) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
PubChem CID29109908
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
SMILESCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(N3CCCCC3)nc(N)c21
InChIInChI=1S/C23H27N5O2/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/h3-4,8,11,18H,2,5-7,9-10,12-13H2,1H3,(H3,24,25,26,27)/t18-/m1/s1
InChIKeyHZIHEEUIBWHFQD-GOSISDBHSA-N
XLogP3.62
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-(4-ethoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17228892
4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17198450
(5R)-4-amino-8,8-dimethyl-5-phenyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102128
(5R)-4-amino-5-(4-methoxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102148
(5R)-4-amino-5-(2,4-dichlorophenyl)-2-morpholin-4-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 29102236
(5R)-2-benzylsulfanyl-5-(2-methoxyphenyl)-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 136800504
5-(2-methoxyphenyl)-2-prop-2-enylsulfanyl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135399403
4-amino-2-morpholin-4-yl-5-pyridin-3-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 16653334
(5R)-5-naphthalen-1-yl-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135885321
5-naphthalen-1-yl-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659234
(5S)-5-naphthalen-1-yl-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135885322
(5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102142

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The IUPAC name of (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one (CID 29109908) is (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one is COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(N3CCCCC3)nc(N)c21.
What is the InChIKey of (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
The InChIKey is HZIHEEUIBWHFQD-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5O2/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/h3-4,8,11,18H,2,5-7,9-10,12-13H2,1H3,(H3,24,25,26,27)/t18-/m1/s1.
What are the key properties of (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one?
(5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one has a molecular weight of 405.50 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-amino-5-(2-methoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 29109908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).