7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide

C21H22N2O4 — CID 174927088

IUPAC7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide
SMILESCOC(Cc1ccc2ccc(C(N)=O)nc2c1OCc1ccccc1)OC
InChIInChI=1S/C21H22N2O4/c1-25-18(26-2)12-16-9-8-15-10-11-17(21(22)24)23-19(15)20(16)27-13-14-6-4-3-5-7-14/h3-11,18H,12-13H2,1-2H3,(H2,22,24)
InChIKeyDOJSSMVVTCHTAI-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.07
Rot. Bonds8

About 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide

7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide (PubChem CID 174927088) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide.

Molecular Properties

Compound Name7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide
PubChem CID174927088
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide
SMILESCOC(Cc1ccc2ccc(C(N)=O)nc2c1OCc1ccccc1)OC
InChIInChI=1S/C21H22N2O4/c1-25-18(26-2)12-16-9-8-15-10-11-17(21(22)24)23-19(15)20(16)27-13-14-6-4-3-5-7-14/h3-11,18H,12-13H2,1-2H3,(H2,22,24)
InChIKeyDOJSSMVVTCHTAI-UHFFFAOYSA-N
XLogP3.07
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
5-amino-6-phenylmethoxypyridine-2-carboxamide
CID 114408377
2-[3-(2-methylpropyl)-2-phenylmethoxyphenyl]acetic acid
CID 18705334
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide
CID 97325450
benzyl 8-phenylmethoxyquinoline-7-carboxylate
CID 77134381
7-fluoro-2-methoxy-8-phenylmethoxyquinoline
CID 68632467
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206
1-(2,2-dimethoxyethyl)-2-iodo-5-methoxy-4-phenylmethoxybenzene
CID 15240745

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide?
The IUPAC name of 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide (CID 174927088) is 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide.
What is the SMILES notation for 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide?
The canonical SMILES for 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide is COC(Cc1ccc2ccc(C(N)=O)nc2c1OCc1ccccc1)OC.
What is the InChIKey of 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide?
The InChIKey is DOJSSMVVTCHTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-18(26-2)12-16-9-8-15-10-11-17(21(22)24)23-19(15)20(16)27-13-14-6-4-3-5-7-14/h3-11,18H,12-13H2,1-2H3,(H2,22,24).
What are the key properties of 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide?
7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethoxyethyl)-8-phenylmethoxyquinoline-2-carboxamide is sourced from PubChem (CID 174927088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).