[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol

C21H22ClN3O3 — CID 126601800

IUPAC[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(-c2ccc3c(Cl)cc(N4CCOC[C@@H]4C)nc3n2)cc1CO
InChIInChI=1S/C21H22ClN3O3/c1-13-12-28-8-7-25(13)20-10-17(22)16-4-5-18(23-21(16)24-20)14-3-6-19(27-2)15(9-14)11-26/h3-6,9-10,13,26H,7-8,11-12H2,1-2H3/t13-/m0/s1
InChIKeyDRFXZXUVVGQFGQ-ZDUSSCGKSA-N
MW399.88 g/mol
LogP3.68
Rot. Bonds4

About [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol

[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol (PubChem CID 126601800) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol
PubChem CID126601800
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(-c2ccc3c(Cl)cc(N4CCOC[C@@H]4C)nc3n2)cc1CO
InChIInChI=1S/C21H22ClN3O3/c1-13-12-28-8-7-25(13)20-10-17(22)16-4-5-18(23-21(16)24-20)14-3-6-19(27-2)15(9-14)11-26/h3-6,9-10,13,26H,7-8,11-12H2,1-2H3/t13-/m0/s1
InChIKeyDRFXZXUVVGQFGQ-ZDUSSCGKSA-N
XLogP3.68
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol?
The IUPAC name of [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol (CID 126601800) is [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol?
The canonical SMILES for [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol is COc1ccc(-c2ccc3c(Cl)cc(N4CCOC[C@@H]4C)nc3n2)cc1CO.
What is the InChIKey of [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol?
The InChIKey is DRFXZXUVVGQFGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13-12-28-8-7-25(13)20-10-17(22)16-4-5-18(23-21(16)24-20)14-3-6-19(27-2)15(9-14)11-26/h3-6,9-10,13,26H,7-8,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol?
[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol has a molecular weight of 399.88 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 126601800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).