ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate

C20H23ClN2O2 — CID 118902414

IUPACethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c2c(n1)C(C)(C)N(Cc1ccccc1)CC2
InChIInChI=1S/C20H23ClN2O2/c1-4-25-19(24)17-12-16(21)15-10-11-23(20(2,3)18(15)22-17)13-14-8-6-5-7-9-14/h5-9,12H,4,10-11,13H2,1-3H3
InChIKeyRVWLIVWOPRWCNS-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.21
Rot. Bonds4

About ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate

ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate (PubChem CID 118902414) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate
PubChem CID118902414
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Nameethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c2c(n1)C(C)(C)N(Cc1ccccc1)CC2
InChIInChI=1S/C20H23ClN2O2/c1-4-25-19(24)17-12-16(21)15-10-11-23(20(2,3)18(15)22-17)13-14-8-6-5-7-9-14/h5-9,12H,4,10-11,13H2,1-3H3
InChIKeyRVWLIVWOPRWCNS-UHFFFAOYSA-N
XLogP4.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate (CID 118902414) is ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate is CCOC(=O)c1cc(Cl)c2c(n1)C(C)(C)N(Cc1ccccc1)CC2.
What is the InChIKey of ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate?
The InChIKey is RVWLIVWOPRWCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-25-19(24)17-12-16(21)15-10-11-23(20(2,3)18(15)22-17)13-14-8-6-5-7-9-14/h5-9,12H,4,10-11,13H2,1-3H3.
What are the key properties of ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate?
ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate has a molecular weight of 358.87 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-benzyl-4-chloro-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 118902414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).