tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate

C19H18ClN3O3 — CID 86652651

IUPACtert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)Nn1c(=O)c(-c2ccccc2)cc2c(Cl)nccc21
InChIInChI=1S/C19H18ClN3O3/c1-19(2,3)26-18(25)22-23-15-9-10-21-16(20)14(15)11-13(17(23)24)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,25)
InChIKeyLXDBQTPLCIVGBX-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.20
Rot. Bonds2

About tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate

tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate (PubChem CID 86652651) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate
PubChem CID86652651
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Nametert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)Nn1c(=O)c(-c2ccccc2)cc2c(Cl)nccc21
InChIInChI=1S/C19H18ClN3O3/c1-19(2,3)26-18(25)22-23-15-9-10-21-16(20)14(15)11-13(17(23)24)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,25)
InChIKeyLXDBQTPLCIVGBX-UHFFFAOYSA-N
XLogP4.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(2-chloro-4-phenylpyridine-3-carbonyl)amino]ethyl]carbamate
CID 22373630
tert-butyl N-[[4-[5-(3-hydroxypropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524619
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl] N-tert-butylcarbamate
CID 90991099
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-1,6-naphthyridine-5-carbonitrile;tert-butyl N-[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 158821519
tert-butyl N-(2-sulfanylidene-3H-benzimidazol-1-yl)carbamate
CID 23063525
2-[3-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-4-phenylmethoxyphenyl]-2-methylpropanoic acid
CID 135062331
tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
CID 21075818
[2-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-yl] N-tert-butylcarbamate
CID 90722650
tert-butyl N-[[4-[5-[N-(1-aminoethylidene)carbamimidoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 91226793
tert-butyl 3-(2-chloropyrimidin-4-yl)indole-1-carboxylate
CID 156694217
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
(2S)-3-(2-chloro-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 121233378

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate (CID 86652651) is tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate is CC(C)(C)OC(=O)Nn1c(=O)c(-c2ccccc2)cc2c(Cl)nccc21.
What is the InChIKey of tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate?
The InChIKey is LXDBQTPLCIVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-19(2,3)26-18(25)22-23-15-9-10-21-16(20)14(15)11-13(17(23)24)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate?
tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate has a molecular weight of 371.82 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-2-oxo-3-phenyl-1,6-naphthyridin-1-yl)carbamate is sourced from PubChem (CID 86652651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).