methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate

C19H20N2O3 — CID 99842190

IUPACmethyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNC(=O)[C@@H]2CCCc3cccnc32)c1
InChIInChI=1S/C19H20N2O3/c1-24-19(23)15-7-2-5-13(11-15)12-21-18(22)16-9-3-6-14-8-4-10-20-17(14)16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyCBWXIXQHTIAPRV-MRXNPFEDSA-N
MW324.38 g/mol
LogP2.60
Rot. Bonds4

About methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate

methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate (PubChem CID 99842190) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate
PubChem CID99842190
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNC(=O)[C@@H]2CCCc3cccnc32)c1
InChIInChI=1S/C19H20N2O3/c1-24-19(23)15-7-2-5-13(11-15)12-21-18(22)16-9-3-6-14-8-4-10-20-17(14)16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyCBWXIXQHTIAPRV-MRXNPFEDSA-N
XLogP2.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate with MolForge

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Related Compounds

N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 126790211
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
methyl 3-(acetamidomethyl)benzoate
CID 20717921
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 116603381
(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124627825
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
methyl 3-[[(2-bromoacetyl)amino]methyl]benzoate
CID 58009722
N-[(2-methylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 138998695
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate?
The IUPAC name of methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate (CID 99842190) is methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate is COC(=O)c1cccc(CNC(=O)[C@@H]2CCCc3cccnc32)c1.
What is the InChIKey of methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate?
The InChIKey is CBWXIXQHTIAPRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-19(23)15-7-2-5-13(11-15)12-21-18(22)16-9-3-6-14-8-4-10-20-17(14)16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate?
methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate has a molecular weight of 324.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[(8R)-5,6,7,8-tetrahydroquinoline-8-carbonyl]amino]methyl]benzoate is sourced from PubChem (CID 99842190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).