(4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one

C18H19N5O2 — CID 97148157

IUPAC(4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1nc(NC[C@H]2CC(=O)N(C)c3ccccc32)c2nc(C)oc2n1
InChIInChI=1S/C18H19N5O2/c1-10-20-17(16-18(21-10)25-11(2)22-16)19-9-12-8-15(24)23(3)14-7-5-4-6-13(12)14/h4-7,12H,8-9H2,1-3H3,(H,19,20,21)/t12-/m1/s1
InChIKeyDYQKDELWNPMQHA-GFCCVEGCSA-N
MW337.38 g/mol
LogP2.80
Rot. Bonds3

About (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one

(4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 97148157) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID97148157
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1nc(NC[C@H]2CC(=O)N(C)c3ccccc32)c2nc(C)oc2n1
InChIInChI=1S/C18H19N5O2/c1-10-20-17(16-18(21-10)25-11(2)22-16)19-9-12-8-15(24)23(3)14-7-5-4-6-13(12)14/h4-7,12H,8-9H2,1-3H3,(H,19,20,21)/t12-/m1/s1
InChIKeyDYQKDELWNPMQHA-GFCCVEGCSA-N
XLogP2.80
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 97148157) is (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one is Cc1nc(NC[C@H]2CC(=O)N(C)c3ccccc32)c2nc(C)oc2n1.
What is the InChIKey of (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is DYQKDELWNPMQHA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10-20-17(16-18(21-10)25-11(2)22-16)19-9-12-8-15(24)23(3)14-7-5-4-6-13(12)14/h4-7,12H,8-9H2,1-3H3,(H,19,20,21)/t12-/m1/s1.
What are the key properties of (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one?
(4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 97148157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).