6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one

C19H13ClN4O — CID 58094086

IUPAC6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(Cl)nc(Nc3ccc(-c4cccnc4)cc3)c12
InChIInChI=1S/C19H13ClN4O/c20-16-10-13-7-9-22-19(25)17(13)18(24-16)23-15-5-3-12(4-6-15)14-2-1-8-21-11-14/h1-11H,(H,22,25)(H,23,24)
InChIKeyUNJGBOSGGRHISR-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.38
Rot. Bonds3

About 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one

6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58094086) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58094086
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(Cl)nc(Nc3ccc(-c4cccnc4)cc3)c12
InChIInChI=1S/C19H13ClN4O/c20-16-10-13-7-9-22-19(25)17(13)18(24-16)23-15-5-3-12(4-6-15)14-2-1-8-21-11-14/h1-11H,(H,22,25)(H,23,24)
InChIKeyUNJGBOSGGRHISR-UHFFFAOYSA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58093747
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
methyl 1-oxo-9-pyridin-3-yl-2H-benzo[h]isoquinoline-6-carboxylate
CID 57455568
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084
N-methyl-3-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzenesulfonamide
CID 58094203
6-chloro-8-[3-methyl-4-[(3S)-3-methylazepan-1-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 89162091
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094280
6-chloro-8-(dimethylamino)-2H-2,7-naphthyridin-1-one
CID 163320790
4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
CID 58094292
4-[(7-chloro-4-oxo-3H-pyrido[4,3-d]pyrimidin-5-yl)amino]benzonitrile
CID 135870875
8-[4-(1-methylpiperidin-4-yl)anilino]-6-(6-methyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58094511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58094086) is 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(Cl)nc(Nc3ccc(-c4cccnc4)cc3)c12.
What is the InChIKey of 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is UNJGBOSGGRHISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-16-10-13-7-9-22-19(25)17(13)18(24-16)23-15-5-3-12(4-6-15)14-2-1-8-21-11-14/h1-11H,(H,22,25)(H,23,24).
What are the key properties of 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one?
6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 348.79 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).