(2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine

C19H22N4O2 — CID 175950102

IUPAC(2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine
SMILESC[C@@H](Oc1nc(-c2ccn(C)c2)cc2ncccc12)[C@@H]1CNCCO1
InChIInChI=1S/C19H22N4O2/c1-13(18-11-20-7-9-24-18)25-19-15-4-3-6-21-17(15)10-16(22-19)14-5-8-23(2)12-14/h3-6,8,10,12-13,18,20H,7,9,11H2,1-2H3/t13-,18+/m1/s1
InChIKeySWTNXAAZRLCLDT-ACJLOTCBSA-N
MW338.41 g/mol
LogP2.39
Rot. Bonds4

About (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine

(2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine (PubChem CID 175950102) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine
PubChem CID175950102
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine
SMILESC[C@@H](Oc1nc(-c2ccn(C)c2)cc2ncccc12)[C@@H]1CNCCO1
InChIInChI=1S/C19H22N4O2/c1-13(18-11-20-7-9-24-18)25-19-15-4-3-6-21-17(15)10-16(22-19)14-5-8-23(2)12-14/h3-6,8,10,12-13,18,20H,7,9,11H2,1-2H3/t13-,18+/m1/s1
InChIKeySWTNXAAZRLCLDT-ACJLOTCBSA-N
XLogP2.39
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine?
The IUPAC name of (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine (CID 175950102) is (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine.
What is the SMILES notation for (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine?
The canonical SMILES for (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine is C[C@@H](Oc1nc(-c2ccn(C)c2)cc2ncccc12)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine?
The InChIKey is SWTNXAAZRLCLDT-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(18-11-20-7-9-24-18)25-19-15-4-3-6-21-17(15)10-16(22-19)14-5-8-23(2)12-14/h3-6,8,10,12-13,18,20H,7,9,11H2,1-2H3/t13-,18+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine?
(2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine has a molecular weight of 338.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-[[7-(1-methylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 175950102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).