3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C24H18N4O — CID 137438080

IUPAC3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESNCc1c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2c1=O
InChIInChI=1S/C24H18N4O/c25-13-18-14-27-24-20(23(18)29)12-19(22(28-24)15-5-2-1-3-6-15)16-8-9-21-17(11-16)7-4-10-26-21/h1-12,14H,13,25H2,(H,27,28,29)
InChIKeyAANHYHCPFNXITK-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.26
Rot. Bonds3

About 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438080) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137438080
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESNCc1c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2c1=O
InChIInChI=1S/C24H18N4O/c25-13-18-14-27-24-20(23(18)29)12-19(22(28-24)15-5-2-1-3-6-15)16-8-9-21-17(11-16)7-4-10-26-21/h1-12,14H,13,25H2,(H,27,28,29)
InChIKeyAANHYHCPFNXITK-UHFFFAOYSA-N
XLogP4.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137438080) is 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is NCc1c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc2c1=O.
What is the InChIKey of 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is AANHYHCPFNXITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c25-13-18-14-27-24-20(23(18)29)12-19(22(28-24)15-5-2-1-3-6-15)16-8-9-21-17(11-16)7-4-10-26-21/h1-12,14H,13,25H2,(H,27,28,29).
What are the key properties of 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 378.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).