(4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate

C22H25NO4 — CID 10384337

IUPAC(4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C)cc1
InChIInChI=1S/C22H25NO4/c1-5-26-20(24)15-6-9-17(10-7-15)27-21(25)16-8-11-19-18(14-16)22(2,3)12-13-23(19)4/h6-11,14H,5,12-13H2,1-4H3
InChIKeyUGHNUUSNQRGYRQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.20
Rot. Bonds4

About (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate

(4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate (PubChem CID 10384337) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate.

Molecular Properties

Compound Name(4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate
PubChem CID10384337
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name(4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C)cc1
InChIInChI=1S/C22H25NO4/c1-5-26-20(24)15-6-9-17(10-7-15)27-21(25)16-8-11-19-18(14-16)22(2,3)12-13-23(19)4/h6-11,14H,5,12-13H2,1-4H3
InChIKeyUGHNUUSNQRGYRQ-UHFFFAOYSA-N
XLogP4.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Bns-22
CID 25265819
4-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)phenyl acetate
CID 306804
1,4,4,7-Tetramethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid 4-ethoxycarbonyl-phenyl ester
CID 10045395
1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid 4-ethoxycarbonyl-phenyl ester
CID 10069273
4-Acetyl-4-[3-(1-methyl-2-oxo-1,2-dihydroquinolin-6-ylmethoxy)phenyl]tetrahydropyran
CID 10385788
4-Ethoxycarbonyl-4-[3-(1-methyl-2-oxo-1,2-dihydroquinolin-6-ylmethoxy)phenyl]tetrahydropyran
CID 10409943
Acetic acid 4-[4-(2-oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenyl ester
CID 14969523
Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatetungstatephosphate
CID 3086218
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone
CID 2182132
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid phenyl ester
CID 11163404
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid p-tolyl ester
CID 11244952
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid 4-fluoro-phenyl ester
CID 11268166

Frequently Asked Questions

What is the IUPAC name of (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate?
The IUPAC name of (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate (CID 10384337) is (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate.
What is the SMILES notation for (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate?
The canonical SMILES for (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate is CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C)cc1.
What is the InChIKey of (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate?
The InChIKey is UGHNUUSNQRGYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-5-26-20(24)15-6-9-17(10-7-15)27-21(25)16-8-11-19-18(14-16)22(2,3)12-13-23(19)4/h6-11,14H,5,12-13H2,1-4H3.
What are the key properties of (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate?
(4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylate is sourced from PubChem (CID 10384337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).