ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate

C26H30N4O5 — CID 168873918

IUPACethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(OC)ccc2c1Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C26H30N4O5/c1-6-34-24(31)20-14-27-23-19(9-10-21(29-23)33-5)22(20)28-18-8-7-16-11-12-30(15-17(16)13-18)25(32)35-26(2,3)4/h7-10,13-14H,6,11-12,15H2,1-5H3,(H,27,28,29)
InChIKeyPQKIXPXFWPBBDC-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.85
Rot. Bonds5

About ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate

ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate (PubChem CID 168873918) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate
PubChem CID168873918
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Nameethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(OC)ccc2c1Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C26H30N4O5/c1-6-34-24(31)20-14-27-23-19(9-10-21(29-23)33-5)22(20)28-18-8-7-16-11-12-30(15-17(16)13-18)25(32)35-26(2,3)4/h7-10,13-14H,6,11-12,15H2,1-5H3,(H,27,28,29)
InChIKeyPQKIXPXFWPBBDC-UHFFFAOYSA-N
XLogP4.85
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-(cyclopropylmethylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 103773145
tert-butyl 6-[[4-(methylamino)-5-(propan-2-ylcarbamoyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 155709598
tert-butyl 7-[(2-ethoxycarbonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146178350
tert-butyl 7-(pentan-2-ylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 107249287
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53132211
tert-butyl 6-[(4-methoxyphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 66935863
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
CID 19258365
tert-butyl 7-[[1-(4-tert-butyl-2-pyridinyl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 138522972
tert-butyl 7-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 59333839
tert-butyl 7-[[1-(1-cyclopropylpyrazol-3-yl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 138523027
tert-butyl 7-(thiadiazol-4-ylmethylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 126799759
tert-butyl 7-[[2-(4-fluorophenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166201712

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate (CID 168873918) is ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(OC)ccc2c1Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate?
The InChIKey is PQKIXPXFWPBBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-6-34-24(31)20-14-27-23-19(9-10-21(29-23)33-5)22(20)28-18-8-7-16-11-12-30(15-17(16)13-18)25(32)35-26(2,3)4/h7-10,13-14H,6,11-12,15H2,1-5H3,(H,27,28,29).
What are the key properties of ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate?
ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 168873918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).