4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine

C24H20N6O — CID 118869488

IUPAC4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine
SMILESc1cnc2ccc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)nccc34)cc2c1
InChIInChI=1S/C24H20N6O/c1-2-17-14-16(3-4-20(17)25-7-1)19-15-22(30-10-12-31-13-11-30)28-23-18(19)5-8-26-24(23)21-6-9-27-29-21/h1-9,14-15H,10-13H2,(H,27,29)
InChIKeyJTRCIWXKDHSRCZ-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.07
Rot. Bonds3

About 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine

4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869488) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869488
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine
SMILESc1cnc2ccc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)nccc34)cc2c1
InChIInChI=1S/C24H20N6O/c1-2-17-14-16(3-4-20(17)25-7-1)19-15-22(30-10-12-31-13-11-30)28-23-18(19)5-8-26-24(23)21-6-9-27-29-21/h1-9,14-15H,10-13H2,(H,27,29)
InChIKeyJTRCIWXKDHSRCZ-UHFFFAOYSA-N
XLogP4.07
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine (CID 118869488) is 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine is c1cnc2ccc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)nccc34)cc2c1.
What is the InChIKey of 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is JTRCIWXKDHSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-2-17-14-16(3-4-20(17)25-7-1)19-15-22(30-10-12-31-13-11-30)28-23-18(19)5-8-26-24(23)21-6-9-27-29-21/h1-9,14-15H,10-13H2,(H,27,29).
What are the key properties of 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine?
4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 408.47 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1H-pyrazol-5-yl)-4-quinolin-6-yl-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).