3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride

C19H19ClN4O2 — CID 91073110

IUPAC3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride
SMILESCOc1ccc(Cn2nc(C)c3c4c(cnc32)CN(C(=O)Cl)CC4)cc1
InChIInChI=1S/C19H19ClN4O2/c1-12-17-16-7-8-23(19(20)25)11-14(16)9-21-18(17)24(22-12)10-13-3-5-15(26-2)6-4-13/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyGLDGEUSDQRNXIM-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.51
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride

3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride (PubChem CID 91073110) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride
PubChem CID91073110
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride
SMILESCOc1ccc(Cn2nc(C)c3c4c(cnc32)CN(C(=O)Cl)CC4)cc1
InChIInChI=1S/C19H19ClN4O2/c1-12-17-16-7-8-23(19(20)25)11-14(16)9-21-18(17)24(22-12)10-13-3-5-15(26-2)6-4-13/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyGLDGEUSDQRNXIM-UHFFFAOYSA-N
XLogP3.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride (CID 91073110) is 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride is COc1ccc(Cn2nc(C)c3c4c(cnc32)CN(C(=O)Cl)CC4)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride?
The InChIKey is GLDGEUSDQRNXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-17-16-7-8-23(19(20)25)11-14(16)9-21-18(17)24(22-12)10-13-3-5-15(26-2)6-4-13/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride?
3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride has a molecular weight of 370.84 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride is sourced from PubChem (CID 91073110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).