N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide

C24H28N2O3 — CID 55653906

IUPACN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc3cc(C)ccc3nc2C)ccc1OC(C)C
InChIInChI=1S/C24H28N2O3/c1-14(2)29-22-10-8-18(13-23(22)28-6)16(4)26-24(27)20-12-19-11-15(3)7-9-21(19)25-17(20)5/h7-14,16H,1-6H3,(H,26,27)
InChIKeyGTEMKDXJAKFESG-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.14
Rot. Bonds6

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 55653906) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID55653906
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc3cc(C)ccc3nc2C)ccc1OC(C)C
InChIInChI=1S/C24H28N2O3/c1-14(2)29-22-10-8-18(13-23(22)28-6)16(4)26-24(27)20-12-19-11-15(3)7-9-21(19)25-17(20)5/h7-14,16H,1-6H3,(H,26,27)
InChIKeyGTEMKDXJAKFESG-UHFFFAOYSA-N
XLogP5.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691117
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 166184194
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 134021169
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
2-(difluoromethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561224
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 119288200

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide (CID 55653906) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide is COc1cc(C(C)NC(=O)c2cc3cc(C)ccc3nc2C)ccc1OC(C)C.
What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is GTEMKDXJAKFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-14(2)29-22-10-8-18(13-23(22)28-6)16(4)26-24(27)20-12-19-11-15(3)7-9-21(19)25-17(20)5/h7-14,16H,1-6H3,(H,26,27).
What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide?
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 55653906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).