(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

C23H26FN5O2 — CID 29109950

IUPAC(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCOCC3)nc(N)c1[C@@H]2c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O2/c1-23(2)11-15-18(16(30)12-23)17(13-3-5-14(24)6-4-13)19-20(25)27-22(28-21(19)26-15)29-7-9-31-10-8-29/h3-6,17H,7-12H2,1-2H3,(H3,25,26,27,28)/t17-/m1/s1
InChIKeyZLZFWBYPNXAUFQ-QGZVFWFLSA-N
MW423.49 g/mol
LogP3.24
Rot. Bonds2

About (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one (PubChem CID 29109950) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one.

Molecular Properties

Compound Name(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
PubChem CID29109950
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCOCC3)nc(N)c1[C@@H]2c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O2/c1-23(2)11-15-18(16(30)12-23)17(13-3-5-14(24)6-4-13)19-20(25)27-22(28-21(19)26-15)29-7-9-31-10-8-29/h3-6,17H,7-12H2,1-2H3,(H3,25,26,27,28)/t17-/m1/s1
InChIKeyZLZFWBYPNXAUFQ-QGZVFWFLSA-N
XLogP3.24
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
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-5-(3-chlorophenyl)-8,8-dimethyl-2-piperidin-1-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 29102176
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
4-amino-8,8-dimethyl-2-methylsulfanyl-5-pyridin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one
CID 18590059
(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
(4R)-4-(4-fluorophenyl)-7,7-dimethyl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27878221
(5R)-5-(4-chlorophenyl)-8,8-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 136727475
4-amino-5-(4-ethoxyphenyl)-2-piperidin-1-yl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17228892

Frequently Asked Questions

What is the IUPAC name of (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The IUPAC name of (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) is (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one.
What is the SMILES notation for (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The canonical SMILES for (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one is CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCOCC3)nc(N)c1[C@@H]2c1ccc(F)cc1.
What is the InChIKey of (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
The InChIKey is ZLZFWBYPNXAUFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-23(2)11-15-18(16(30)12-23)17(13-3-5-14(24)6-4-13)19-20(25)27-22(28-21(19)26-15)29-7-9-31-10-8-29/h3-6,17H,7-12H2,1-2H3,(H3,25,26,27,28)/t17-/m1/s1.
What are the key properties of (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one?
(5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one has a molecular weight of 423.49 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-amino-5-(4-fluorophenyl)-8,8-dimethyl-2-morpholin-4-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one is sourced from PubChem (CID 29109950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).