(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide

C20H23ClN2O2 — CID 6554401

IUPAC(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
SMILESCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c1-13-12-20(2,3)23(18-10-9-16(25-4)11-17(13)18)19(24)22-15-7-5-14(21)6-8-15/h5-11,13H,12H2,1-4H3,(H,22,24)/t13-/m1/s1
InChIKeyATOYXQCBMJKCES-CYBMUJFWSA-N
MW358.87 g/mol
LogP5.67
Rot. Bonds2

About (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide

(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide (PubChem CID 6554401) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
PubChem CID6554401
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
SMILESCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c1-13-12-20(2,3)23(18-10-9-16(25-4)11-17(13)18)19(24)22-15-7-5-14(21)6-8-15/h5-11,13H,12H2,1-4H3,(H,22,24)/t13-/m1/s1
InChIKeyATOYXQCBMJKCES-CYBMUJFWSA-N
XLogP5.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide with MolForge

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Related Compounds

2-chloro-1-[(4S)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 801345
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132650058
1-[(4R)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 99732244
1-[(4S)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 990878
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
CID 132650942
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
CID 2918857
2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50862123
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
4-hydroxy-6-methoxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636695
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
CID 2922360
N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50860072

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide?
The IUPAC name of (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide (CID 6554401) is (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide.
What is the SMILES notation for (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide?
The canonical SMILES for (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide is COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide?
The InChIKey is ATOYXQCBMJKCES-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13-12-20(2,3)23(18-10-9-16(25-4)11-17(13)18)19(24)22-15-7-5-14(21)6-8-15/h5-11,13H,12H2,1-4H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide?
(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 6554401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).