tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C20H32N2O3 — CID 142348393

IUPACtert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(O)CC(C)(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C20H32N2O3/c1-18(2,3)25-17(23)22-12-8-9-14-10-11-15(21-16(14)22)19(4,5)13-20(6,7)24/h10-11,24H,8-9,12-13H2,1-7H3
InChIKeyGKPZPRPZARLBQK-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.21
Rot. Bonds3

About tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 142348393) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID142348393
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(O)CC(C)(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C20H32N2O3/c1-18(2,3)25-17(23)22-12-8-9-14-10-11-15(21-16(14)22)19(4,5)13-20(6,7)24/h10-11,24H,8-9,12-13H2,1-7H3
InChIKeyGKPZPRPZARLBQK-UHFFFAOYSA-N
XLogP4.21
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetate
CID 22319471
tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 97135982
5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 169021469
lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 168874390
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134394630
tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 139422176
tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 153467939
tert-butyl 7-(4-prop-2-enoxybutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146551735
tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134500824
tert-butyl 7-chloro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl N-(6-chloro-2-pyridinyl)carbamate
CID 159922696

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 142348393) is tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CC(C)(O)CC(C)(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.
What is the InChIKey of tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is GKPZPRPZARLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-18(2,3)25-17(23)22-12-8-9-14-10-11-15(21-16(14)22)19(4,5)13-20(6,7)24/h10-11,24H,8-9,12-13H2,1-7H3.
What are the key properties of tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 142348393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).