3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C27H22N4O2 — CID 137437990

IUPAC3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1c(N2CCOCC2)c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C27H22N4O2/c32-26-22-16-21(19-8-9-23-20(15-19)7-4-10-28-23)25(18-5-2-1-3-6-18)30-27(22)29-17-24(26)31-11-13-33-14-12-31/h1-10,15-17H,11-14H2,(H,29,30,32)
InChIKeyHXKQWXRBQZBDNH-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.64
Rot. Bonds3

About 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137437990) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137437990
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1c(N2CCOCC2)c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C27H22N4O2/c32-26-22-16-21(19-8-9-23-20(15-19)7-4-10-28-23)25(18-5-2-1-3-6-18)30-27(22)29-17-24(26)31-11-13-33-14-12-31/h1-10,15-17H,11-14H2,(H,29,30,32)
InChIKeyHXKQWXRBQZBDNH-UHFFFAOYSA-N
XLogP4.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137437990) is 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is O=c1c(N2CCOCC2)c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12.
What is the InChIKey of 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is HXKQWXRBQZBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c32-26-22-16-21(19-8-9-23-20(15-19)7-4-10-28-23)25(18-5-2-1-3-6-18)30-27(22)29-17-24(26)31-11-13-33-14-12-31/h1-10,15-17H,11-14H2,(H,29,30,32).
What are the key properties of 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 434.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137437990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).