benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C19H22N2O2 — CID 138492194

IUPACbenzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C19H22N2O2/c1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12-13H2,1-2H3
InChIKeyPPVCHEHZDAKVEX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.90
Rot. Bonds3

About benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 138492194) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namebenzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID138492194
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namebenzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C19H22N2O2/c1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12-13H2,1-2H3
InChIKeyPPVCHEHZDAKVEX-UHFFFAOYSA-N
XLogP3.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 137379852
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 118993560
benzyl 6-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133061367
6-methoxy-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 146564820
benzyl 3-amino-2-(phenylcarbamoyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-6-carboxylate
CID 155808556
tert-butyl 2-(1-phenylmethoxycarbonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 151124795
benzyl 2,4-bis(2,2-dimethylpropanoylamino)-8,9-dihydro-6H-pyrimido[4,5-b][1,6]naphthyridine-7-carboxylate
CID 10885806
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 6-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133059107
benzyl 8-methoxy-5-oxo-3,4-dihydro-1H-2-benzazepine-2-carboxylate
CID 171988343

Frequently Asked Questions

What is the IUPAC name of benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 138492194) is benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is PPVCHEHZDAKVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12-13H2,1-2H3.
What are the key properties of benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 138492194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).