4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine

C19H22N4O2 — CID 118869331

IUPAC4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2CCOCC2)nc2c(-c3cc[nH]c3)nccc12
InChIInChI=1S/C19H22N4O2/c1-13(2)25-16-11-17(23-7-9-24-10-8-23)22-19-15(16)4-6-21-18(19)14-3-5-20-12-14/h3-6,11-13,20H,7-10H2,1-2H3
InChIKeyAHHRHPSWYAZFSC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.25
Rot. Bonds4

About 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869331) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869331
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2CCOCC2)nc2c(-c3cc[nH]c3)nccc12
InChIInChI=1S/C19H22N4O2/c1-13(2)25-16-11-17(23-7-9-24-10-8-23)22-19-15(16)4-6-21-18(19)14-3-5-20-12-14/h3-6,11-13,20H,7-10H2,1-2H3
InChIKeyAHHRHPSWYAZFSC-UHFFFAOYSA-N
XLogP3.25
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869331) is 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)Oc1cc(N2CCOCC2)nc2c(-c3cc[nH]c3)nccc12.
What is the InChIKey of 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is AHHRHPSWYAZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)25-16-11-17(23-7-9-24-10-8-23)22-19-15(16)4-6-21-18(19)14-3-5-20-12-14/h3-6,11-13,20H,7-10H2,1-2H3.
What are the key properties of 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 338.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-propan-2-yloxy-8-(1H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).