ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate

C15H16ClN3O2 — CID 10638316

IUPACethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(nc3ccc(Cl)cc3c2N)C1
InChIInChI=1S/C15H16ClN3O2/c1-2-21-15(20)19-6-5-10-13(8-19)18-12-4-3-9(16)7-11(12)14(10)17/h3-4,7H,2,5-6,8H2,1H3,(H2,17,18)
InChIKeyHRJOOJLOSNNHIH-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.98
Rot. Bonds1

About ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate

ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate (PubChem CID 10638316) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate
PubChem CID10638316
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Nameethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(nc3ccc(Cl)cc3c2N)C1
InChIInChI=1S/C15H16ClN3O2/c1-2-21-15(20)19-6-5-10-13(8-19)18-12-4-3-9(16)7-11(12)14(10)17/h3-4,7H,2,5-6,8H2,1H3,(H2,17,18)
InChIKeyHRJOOJLOSNNHIH-UHFFFAOYSA-N
XLogP2.98
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate with MolForge

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Related Compounds

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ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate
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ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
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7-chloro-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridin-5-amine
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate (CID 10638316) is ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate is CCOC(=O)N1CCc2c(nc3ccc(Cl)cc3c2N)C1.
What is the InChIKey of ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate?
The InChIKey is HRJOOJLOSNNHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-21-15(20)19-6-5-10-13(8-19)18-12-4-3-9(16)7-11(12)14(10)17/h3-4,7H,2,5-6,8H2,1H3,(H2,17,18).
What are the key properties of ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate?
ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate has a molecular weight of 305.77 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-7-chloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine-2-carboxylate is sourced from PubChem (CID 10638316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).