N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide

C20H22N4O3 — CID 126645774

IUPACN-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCOCCn1c(N2CCCc3cc(C(=O)NO)ccc32)nc2ccccc21
InChIInChI=1S/C20H22N4O3/c1-27-12-11-24-18-7-3-2-6-16(18)21-20(24)23-10-4-5-14-13-15(19(25)22-26)8-9-17(14)23/h2-3,6-9,13,26H,4-5,10-12H2,1H3,(H,22,25)
InChIKeyZDUNLFXVUAEWPN-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.89
Rot. Bonds5

About N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide

N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 126645774) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID126645774
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCOCCn1c(N2CCCc3cc(C(=O)NO)ccc32)nc2ccccc21
InChIInChI=1S/C20H22N4O3/c1-27-12-11-24-18-7-3-2-6-16(18)21-20(24)23-10-4-5-14-13-15(19(25)22-26)8-9-17(14)23/h2-3,6-9,13,26H,4-5,10-12H2,1H3,(H,22,25)
InChIKeyZDUNLFXVUAEWPN-UHFFFAOYSA-N
XLogP2.89
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616608
1-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 16505786
(6S)-N-hydroxy-1'-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616489
N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide
CID 134459830
1-[1-(2-methoxyethyl)benzimidazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 42880181
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25340406
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 154795635
1-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4267164
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4883677

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 126645774) is N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide is COCCn1c(N2CCCc3cc(C(=O)NO)ccc32)nc2ccccc21.
What is the InChIKey of N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is ZDUNLFXVUAEWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-12-11-24-18-7-3-2-6-16(18)21-20(24)23-10-4-5-14-13-15(19(25)22-26)8-9-17(14)23/h2-3,6-9,13,26H,4-5,10-12H2,1H3,(H,22,25).
What are the key properties of N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 126645774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).