7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one

C14H11ClN2O2 — CID 142110664

IUPAC7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one
SMILESCOc1nccc2c(=O)c3cc(Cl)ccc3n(C)c12
InChIInChI=1S/C14H11ClN2O2/c1-17-11-4-3-8(15)7-10(11)13(18)9-5-6-16-14(19-2)12(9)17/h3-7H,1-2H3
InChIKeyGVFJZVYKGUAGKM-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.75
Rot. Bonds1

About 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one

7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one (PubChem CID 142110664) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one.

Molecular Properties

Compound Name7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one
PubChem CID142110664
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one
SMILESCOc1nccc2c(=O)c3cc(Cl)ccc3n(C)c12
InChIInChI=1S/C14H11ClN2O2/c1-17-11-4-3-8(15)7-10(11)13(18)9-5-6-16-14(19-2)12(9)17/h3-7H,1-2H3
InChIKeyGVFJZVYKGUAGKM-UHFFFAOYSA-N
XLogP2.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,3,6-trichloro-2-methoxy-9-methylcarbazole
CID 10543317
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2-chloro-6,11-dimethoxy-5-methylbenzo[b]carbazole
CID 132538396
8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
CID 134324128
10-chloro-5-methoxy-7-methylindolo[2,3-c]quinolin-6-one
CID 122401286
1-(bromomethyl)-8-chloro-5-methyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 21183757
1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole
CID 115040554
2-(8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid
CID 21183740
6-chloro-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
CID 13258370
6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262610
4-tert-butyl-6-chloro-1-methoxyisoquinoline
CID 167341700
6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one
CID 50917306

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one?
The IUPAC name of 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one (CID 142110664) is 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one.
What is the SMILES notation for 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one?
The canonical SMILES for 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one is COc1nccc2c(=O)c3cc(Cl)ccc3n(C)c12.
What is the InChIKey of 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one?
The InChIKey is GVFJZVYKGUAGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-17-11-4-3-8(15)7-10(11)13(18)9-5-6-16-14(19-2)12(9)17/h3-7H,1-2H3.
What are the key properties of 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one?
7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one has a molecular weight of 274.71 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one is sourced from PubChem (CID 142110664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).