2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C28H30N2O4 — CID 51419651

IUPAC2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCn1c2ccccc2c2cc([C@H]3C(C(=O)OCCOC)=C(C)NC4=C3C(=O)CCC4)ccc21
InChIInChI=1S/C28H30N2O4/c1-4-30-22-10-6-5-8-19(22)20-16-18(12-13-23(20)30)26-25(28(32)34-15-14-33-3)17(2)29-21-9-7-11-24(31)27(21)26/h5-6,8,10,12-13,16,26,29H,4,7,9,11,14-15H2,1-3H3/t26-/m0/s1
InChIKeyWZDQGHZESJPTAI-SANMLTNESA-N
MW458.56 g/mol
LogP4.97
Rot. Bonds6

About 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 51419651) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID51419651
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCn1c2ccccc2c2cc([C@H]3C(C(=O)OCCOC)=C(C)NC4=C3C(=O)CCC4)ccc21
InChIInChI=1S/C28H30N2O4/c1-4-30-22-10-6-5-8-19(22)20-16-18(12-13-23(20)30)26-25(28(32)34-15-14-33-3)17(2)29-21-9-7-11-24(31)27(21)26/h5-6,8,10,12-13,16,26,29H,4,7,9,11,14-15H2,1-3H3/t26-/m0/s1
InChIKeyWZDQGHZESJPTAI-SANMLTNESA-N
XLogP4.97
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl 4-(9-ethylcarbazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 5252635
2-methoxyethyl 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3122674
ethyl 2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2763934
2-phenylethyl (4S)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1110372
2-ethoxyethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847940
2-ethoxyethyl (4R)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51399207
propyl 4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847606
2-phenylethyl (4R)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1087381
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2869771
pentyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847079
2-phenylethyl 2-methyl-5-oxo-4-(3-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2868099
methyl (4R)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 746997

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 51419651) is 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CCn1c2ccccc2c2cc([C@H]3C(C(=O)OCCOC)=C(C)NC4=C3C(=O)CCC4)ccc21.
What is the InChIKey of 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is WZDQGHZESJPTAI-SANMLTNESA-N. The full InChI is InChI=1S/C28H30N2O4/c1-4-30-22-10-6-5-8-19(22)20-16-18(12-13-23(20)30)26-25(28(32)34-15-14-33-3)17(2)29-21-9-7-11-24(31)27(21)26/h5-6,8,10,12-13,16,26,29H,4,7,9,11,14-15H2,1-3H3/t26-/m0/s1.
What are the key properties of 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 458.56 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (4R)-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 51419651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).