7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C28H18N4O — CID 137438006

IUPAC7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2cc1-c1ccncc1
InChIInChI=1S/C28H18N4O/c33-28-24(18-10-13-29-14-11-18)17-22-16-23(20-8-9-25-21(15-20)7-4-12-30-25)26(31-27(22)32-28)19-5-2-1-3-6-19/h1-17H,(H,31,32,33)
InChIKeyQCVCONMCMPTQQP-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.87
Rot. Bonds3

About 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438006) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438006
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2cc1-c1ccncc1
InChIInChI=1S/C28H18N4O/c33-28-24(18-10-13-29-14-11-18)17-22-16-23(20-8-9-25-21(15-20)7-4-12-30-25)26(31-27(22)32-28)19-5-2-1-3-6-19/h1-17H,(H,31,32,33)
InChIKeyQCVCONMCMPTQQP-UHFFFAOYSA-N
XLogP5.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438006) is 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2cc1-c1ccncc1.
What is the InChIKey of 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is QCVCONMCMPTQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c33-28-24(18-10-13-29-14-11-18)17-22-16-23(20-8-9-25-21(15-20)7-4-12-30-25)26(31-27(22)32-28)19-5-2-1-3-6-19/h1-17H,(H,31,32,33).
What are the key properties of 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 426.48 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3-pyridin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).