(3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine

C14H16ClN3O2 — CID 118890788

IUPAC(3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine
SMILESCOc1cc(N2CCOC[C@H]2C)nc2c(Cl)nccc12
InChIInChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(19-2)10-3-4-16-14(15)13(10)17-12/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyNZJNCYLEFMKNCW-SECBINFHSA-N
MW293.75 g/mol
LogP2.52
Rot. Bonds2

About (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine

(3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine (PubChem CID 118890788) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine
PubChem CID118890788
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine
SMILESCOc1cc(N2CCOC[C@H]2C)nc2c(Cl)nccc12
InChIInChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(19-2)10-3-4-16-14(15)13(10)17-12/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyNZJNCYLEFMKNCW-SECBINFHSA-N
XLogP2.52
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine?
The IUPAC name of (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine (CID 118890788) is (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine.
What is the SMILES notation for (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine?
The canonical SMILES for (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine is COc1cc(N2CCOC[C@H]2C)nc2c(Cl)nccc12.
What is the InChIKey of (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine?
The InChIKey is NZJNCYLEFMKNCW-SECBINFHSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(19-2)10-3-4-16-14(15)13(10)17-12/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine?
(3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine has a molecular weight of 293.75 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(8-chloro-4-methoxy-1,7-naphthyridin-2-yl)-3-methylmorpholine is sourced from PubChem (CID 118890788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).