tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C15H22ClN3O3 — CID 164855223

IUPACtert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2ccc(Cl)nc2C(NCCO)C1
InChIInChI=1S/C15H22ClN3O3/c1-15(2,3)22-14(21)19-8-10-4-5-12(16)18-13(10)11(9-19)17-6-7-20/h4-5,11,17,20H,6-9H2,1-3H3
InChIKeyUTOMRMRVLOXTHY-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.11
Rot. Bonds3

About tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 164855223) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID164855223
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Nametert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2ccc(Cl)nc2C(NCCO)C1
InChIInChI=1S/C15H22ClN3O3/c1-15(2,3)22-14(21)19-8-10-4-5-12(16)18-13(10)11(9-19)17-6-7-20/h4-5,11,17,20H,6-9H2,1-3H3
InChIKeyUTOMRMRVLOXTHY-UHFFFAOYSA-N
XLogP2.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 170307138
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tert-butyl 3-(2-amino-6-chloropyrido[3,2-d]pyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 175342359
tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 137495556
tert-butyl 5-(6-chloro-3-pyridinyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxylate
CID 87177247
tert-butyl 3-(benzylamino)-4-oxopyrrolidine-1-carboxylate
CID 91293938
tert-butyl (3S)-3-[(4-chloropyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71629236
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 3-[(6-chloropyridazin-3-yl)amino]azetidine-1-carboxylate
CID 146078205
tert-butyl (2R)-7-chloro-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146423078
tert-butyl 2-chlorosulfonyl-8-morpholin-4-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 167438582

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 164855223) is tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CC(C)(C)OC(=O)N1Cc2ccc(Cl)nc2C(NCCO)C1.
What is the InChIKey of tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is UTOMRMRVLOXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-15(2,3)22-14(21)19-8-10-4-5-12(16)18-13(10)11(9-19)17-6-7-20/h4-5,11,17,20H,6-9H2,1-3H3.
What are the key properties of tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 327.81 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-chloro-8-(2-hydroxyethylamino)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 164855223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).