prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate

C31H34N2O7 — CID 6710039

IUPACprop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate
SMILESC=CCOC(=O)N[C@H]1c2cc(OCOCCOC)ccc2N=C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C31H34N2O7/c1-3-16-37-31(34)33-28-26-19-25(40-22-36-18-17-35-2)14-15-27(26)32-30(39-21-24-12-8-5-9-13-24)29(28)38-20-23-10-6-4-7-11-23/h3-15,19,28-29H,1,16-18,20-22H2,2H3,(H,33,34)/t28-,29+/m0/s1
InChIKeyNCKXWVXIDZPCJM-URLMMPGGSA-N
MW546.62 g/mol
LogP5.49
Rot. Bonds14

About prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate

prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate (PubChem CID 6710039) has the molecular formula C31H34N2O7 and a molecular weight of 546.62 g/mol. Its IUPAC name is prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate
PubChem CID6710039
Molecular FormulaC31H34N2O7
Molecular Weight546.62 g/mol
Exact Mass546.24
IUPAC Nameprop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate
SMILESC=CCOC(=O)N[C@H]1c2cc(OCOCCOC)ccc2N=C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C31H34N2O7/c1-3-16-37-31(34)33-28-26-19-25(40-22-36-18-17-35-2)14-15-27(26)32-30(39-21-24-12-8-5-9-13-24)29(28)38-20-23-10-6-4-7-11-23/h3-15,19,28-29H,1,16-18,20-22H2,2H3,(H,33,34)/t28-,29+/m0/s1
InChIKeyNCKXWVXIDZPCJM-URLMMPGGSA-N
XLogP5.49
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3S)-5-(2-methoxyethoxymethoxy)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-indol-2-yl]methyl benzoate
CID 6709834
1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene
CID 6709920
(1S)-4-(2-methoxyethoxymethoxy)-10-oxo-11-phenylmethoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxylic acid
CID 68927732
prop-2-enyl N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]carbamate
CID 146306845
ethyl (1S,8R)-4-(2-methoxyethoxymethoxy)-10-oxo-11-phenylmethoxy-9,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxylate
CID 68933505
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
prop-2-enyl N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-phenylmethoxy-2-prop-2-enoxyoxan-3-yl]carbamate
CID 56950549
3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide
CID 131887821
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
ethyl (2R,3S)-2-hydroxy-3-[5-(2-methoxyethoxymethoxy)-2-nitrophenyl]-3-(phenylmethoxycarbonylamino)propanoate
CID 6709919
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 67919517

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate (CID 6710039) is prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate is C=CCOC(=O)N[C@H]1c2cc(OCOCCOC)ccc2N=C(OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate?
The InChIKey is NCKXWVXIDZPCJM-URLMMPGGSA-N. The full InChI is InChI=1S/C31H34N2O7/c1-3-16-37-31(34)33-28-26-19-25(40-22-36-18-17-35-2)14-15-27(26)32-30(39-21-24-12-8-5-9-13-24)29(28)38-20-23-10-6-4-7-11-23/h3-15,19,28-29H,1,16-18,20-22H2,2H3,(H,33,34)/t28-,29+/m0/s1.
What are the key properties of prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate?
prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate has a molecular weight of 546.62 g/mol, XLogP of 5.49, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(3R,4S)-6-(2-methoxyethoxymethoxy)-2,3-bis(phenylmethoxy)-3,4-dihydroquinolin-4-yl]carbamate is sourced from PubChem (CID 6710039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).