benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide

C23H27N3O7 — CID 67754957

IUPACbenzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide
SMILESNC(=O)N1CCOCC1.O=C(O)O[C@@H]1Cc2ccccc2N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H17NO5.C5H10N2O2/c20-17(23-12-13-6-2-1-3-7-13)19-11-15(24-18(21)22)10-14-8-4-5-9-16(14)19;6-5(8)7-1-3-9-4-2-7/h1-9,15H,10-12H2,(H,21,22);1-4H2,(H2,6,8)/t15-;/m1./s1
InChIKeyLOKRMMZWGORTLT-XFULWGLBSA-N
MW457.48 g/mol
LogP2.85
Rot. Bonds3

About benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide

benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide (PubChem CID 67754957) has the molecular formula C23H27N3O7 and a molecular weight of 457.48 g/mol. Its IUPAC name is benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide.

Molecular Properties

Compound Namebenzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide
PubChem CID67754957
Molecular FormulaC23H27N3O7
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Namebenzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide
SMILESNC(=O)N1CCOCC1.O=C(O)O[C@@H]1Cc2ccccc2N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H17NO5.C5H10N2O2/c20-17(23-12-13-6-2-1-3-7-13)19-11-15(24-18(21)22)10-14-8-4-5-9-16(14)19;6-5(8)7-1-3-9-4-2-7/h1-9,15H,10-12H2,(H,21,22);1-4H2,(H2,6,8)/t15-;/m1./s1
InChIKeyLOKRMMZWGORTLT-XFULWGLBSA-N
XLogP2.85
TPSA131.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (3S)-3-acetyloxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70085551
benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 54108508
3-(1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinolin-3-yl)prop-2-enoic acid
CID 77325549
benzyl (6R,7R)-6,7-dihydroxy-1,4-oxazocane-4-carboxylate
CID 122547436
benzyl 3-[(E)-pent-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 67625561
benzyl (3S)-3-(methoxymethylcarbamoyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70086052
4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60726434
benzyl (3R)-3-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxylate
CID 97110906
benzyl 2-[amino(hydroxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 19795229
benzyl (4R)-4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 14556728
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide?
The IUPAC name of benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide (CID 67754957) is benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide.
What is the SMILES notation for benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide?
The canonical SMILES for benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide is NC(=O)N1CCOCC1.O=C(O)O[C@@H]1Cc2ccccc2N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide?
The InChIKey is LOKRMMZWGORTLT-XFULWGLBSA-N. The full InChI is InChI=1S/C18H17NO5.C5H10N2O2/c20-17(23-12-13-6-2-1-3-7-13)19-11-15(24-18(21)22)10-14-8-4-5-9-16(14)19;6-5(8)7-1-3-9-4-2-7/h1-9,15H,10-12H2,(H,21,22);1-4H2,(H2,6,8)/t15-;/m1./s1.
What are the key properties of benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide?
benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-carboxyoxy-3,4-dihydro-2H-quinoline-1-carboxylate;morpholine-4-carboxamide is sourced from PubChem (CID 67754957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).