[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone

C23H20N6O2 — CID 95830957

IUPAC[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone
SMILESNc1cc(-c2cncnc2[C@H]2CN(C(=O)c3cccc4ncccc34)CCO2)ccn1
InChIInChI=1S/C23H20N6O2/c24-21-11-15(6-8-27-21)18-12-25-14-28-22(18)20-13-29(9-10-31-20)23(30)17-3-1-5-19-16(17)4-2-7-26-19/h1-8,11-12,14,20H,9-10,13H2,(H2,24,27)/t20-/m1/s1
InChIKeyHDDFVHCYTFEYET-HXUWFJFHSA-N
MW412.45 g/mol
LogP2.88
Rot. Bonds3

About [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone

[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone (PubChem CID 95830957) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone
PubChem CID95830957
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone
SMILESNc1cc(-c2cncnc2[C@H]2CN(C(=O)c3cccc4ncccc34)CCO2)ccn1
InChIInChI=1S/C23H20N6O2/c24-21-11-15(6-8-27-21)18-12-25-14-28-22(18)20-13-29(9-10-31-20)23(30)17-3-1-5-19-16(17)4-2-7-26-19/h1-8,11-12,14,20H,9-10,13H2,(H2,24,27)/t20-/m1/s1
InChIKeyHDDFVHCYTFEYET-HXUWFJFHSA-N
XLogP2.88
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone with MolForge

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Related Compounds

(2-pyridin-4-ylmorpholin-4-yl)-quinolin-5-ylmethanone
CID 110102580
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124957262
1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 110092846
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124978768
4-[4-[(2R)-4-(quinolin-8-ylmethyl)morpholin-2-yl]pyrimidin-5-yl]pyridin-2-amine
CID 95830959
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 125013448
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638264
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone (CID 95830957) is [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone is Nc1cc(-c2cncnc2[C@H]2CN(C(=O)c3cccc4ncccc34)CCO2)ccn1.
What is the InChIKey of [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone?
The InChIKey is HDDFVHCYTFEYET-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20N6O2/c24-21-11-15(6-8-27-21)18-12-25-14-28-22(18)20-13-29(9-10-31-20)23(30)17-3-1-5-19-16(17)4-2-7-26-19/h1-8,11-12,14,20H,9-10,13H2,(H2,24,27)/t20-/m1/s1.
What are the key properties of [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone?
[(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone has a molecular weight of 412.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 95830957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).