(5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

C24H29N5O2 — CID 29102142

IUPAC(5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@H]2c1ccc(O)cc1
InChIInChI=1S/C24H29N5O2/c1-24(2)12-16-19(17(31)13-24)18(14-6-8-15(30)9-7-14)20-21(25)27-23(28-22(20)26-16)29-10-4-3-5-11-29/h6-9,18,30H,3-5,10-13H2,1-2H3,(H3,25,26,27,28)/t18-/m0/s1
InChIKeyIVJCRAKBLOZTMT-SFHVURJKSA-N
MW419.53 g/mol
LogP3.96
Rot. Bonds2

About (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

(5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one (PubChem CID 29102142) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name(5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
PubChem CID29102142
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@H]2c1ccc(O)cc1
InChIInChI=1S/C24H29N5O2/c1-24(2)12-16-19(17(31)13-24)18(14-6-8-15(30)9-7-14)20-21(25)27-23(28-22(20)26-16)29-10-4-3-5-11-29/h6-9,18,30H,3-5,10-13H2,1-2H3,(H3,25,26,27,28)/t18-/m0/s1
InChIKeyIVJCRAKBLOZTMT-SFHVURJKSA-N
XLogP3.96
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-(3-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102184
(5R)-4-amino-5-(3-chlorophenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102176
(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29109950
2-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135930702
4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one
CID 4860556
4-amino-5-(4-ethoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17228892
5-(4-hydroxyphenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135492031
(4S)-4-(4-hydroxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 1474563
(5R)-2-ethylsulfanyl-5-(4-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135795057
(5S)-2-ethylsulfanyl-5-(4-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135795058

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The IUPAC name of (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) is (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one is CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@H]2c1ccc(O)cc1.
What is the InChIKey of (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The InChIKey is IVJCRAKBLOZTMT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-24(2)12-16-19(17(31)13-24)18(14-6-8-15(30)9-7-14)20-21(25)27-23(28-22(20)26-16)29-10-4-3-5-11-29/h6-9,18,30H,3-5,10-13H2,1-2H3,(H3,25,26,27,28)/t18-/m0/s1.
What are the key properties of (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
(5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one has a molecular weight of 419.53 g/mol, XLogP of 3.96, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 29102142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).