6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine

C29H24N4O — CID 71455565

IUPAC6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1cnc2c(c1)CN(c1ncccc1-c1ccc(OCc3ccc4ccccc4n3)cc1)CC2
InChIInChI=1S/C29H24N4O/c1-2-8-28-22(5-1)9-12-24(32-28)20-34-25-13-10-21(11-14-25)26-7-4-17-31-29(26)33-18-15-27-23(19-33)6-3-16-30-27/h1-14,16-17H,15,18-20H2
InChIKeyKKFDBMDMZISULN-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.83
Rot. Bonds5

About 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine

6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 71455565) has the molecular formula C29H24N4O and a molecular weight of 444.54 g/mol. Its IUPAC name is 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID71455565
Molecular FormulaC29H24N4O
Molecular Weight444.54 g/mol
Exact Mass444.20
IUPAC Name6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1cnc2c(c1)CN(c1ncccc1-c1ccc(OCc3ccc4ccccc4n3)cc1)CC2
InChIInChI=1S/C29H24N4O/c1-2-8-28-22(5-1)9-12-24(32-28)20-34-25-13-10-21(11-14-25)26-7-4-17-31-29(26)33-18-15-27-23(19-33)6-3-16-30-27/h1-14,16-17H,15,18-20H2
InChIKeyKKFDBMDMZISULN-UHFFFAOYSA-N
XLogP5.83
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 71455565) is 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine is c1cnc2c(c1)CN(c1ncccc1-c1ccc(OCc3ccc4ccccc4n3)cc1)CC2.
What is the InChIKey of 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is KKFDBMDMZISULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O/c1-2-8-28-22(5-1)9-12-24(32-28)20-34-25-13-10-21(11-14-25)26-7-4-17-31-29(26)33-18-15-27-23(19-33)6-3-16-30-27/h1-14,16-17H,15,18-20H2.
What are the key properties of 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 444.54 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 71455565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).