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

C14H16ClN3O2 — CID 126601724

IUPAC(3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine
SMILESCOc1ccc2c(Cl)cc(N3CCOC[C@@H]3C)nc2n1
InChIInChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(15)10-3-4-13(19-2)17-14(10)16-12/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyNDTMNYOZWMATCW-VIFPVBQESA-N
MW293.75 g/mol
LogP2.52
Rot. Bonds2

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

(3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine (PubChem CID 126601724) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine
PubChem CID126601724
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine
SMILESCOc1ccc2c(Cl)cc(N3CCOC[C@@H]3C)nc2n1
InChIInChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(15)10-3-4-13(19-2)17-14(10)16-12/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyNDTMNYOZWMATCW-VIFPVBQESA-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

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Related Compounds

[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol
CID 126601800
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451
(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane
CID 142518032
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine (CID 126601724) is (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine is COc1ccc2c(Cl)cc(N3CCOC[C@@H]3C)nc2n1.
What is the InChIKey of (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine?
The InChIKey is NDTMNYOZWMATCW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-8-20-6-5-18(9)12-7-11(15)10-3-4-13(19-2)17-14(10)16-12/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine?
(3S)-4-(4-chloro-7-methoxy-1,8-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 (3S)-4-(4-chloro-7-methoxy-1,8-naphthyridin-2-yl)-3-methylmorpholine is sourced from PubChem (CID 126601724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).