6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen

C69H70N6O5 — CID 157085363

IUPAC6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen
SMILESC.C.CCOC(=O)c1cc(C)c2cc(C3CC3)cc(-c3ccccc3)c2n1.Cc1cc(C(=O)NCc2cnccn2)nc2c(-c3ccccc3)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(-c3ccccc3)cc(C3CC3)cc12.[H][H]
InChIInChI=1S/C25H22N4O.C22H21NO2.C20H17NO2.2CH4.H2/c1-16-11-23(25(30)28-15-20-14-26-9-10-27-20)29-24-21(16)12-19(17-7-8-17)13-22(24)18-5-3-2-4-6-18;1-3-25-22(24)20-11-14(2)18-12-17(15-9-10-15)13-19(21(18)23-20)16-7-5-4-6-8-16;1-12-9-18(20(22)23)21-19-16(12)10-15(13-7-8-13)11-17(19)14-5-3-2-4-6-14;;;/h2-6,9-14,17H,7-8,15H2,1H3,(H,28,30);4-8,11-13,15H,3,9-10H2,1-2H3;2-6,9-11,13H,7-8H2,1H3,(H,22,23);2*1H4;1H
InChIKeyAEAHHCRCVCAOAV-UHFFFAOYSA-N
MW1063.36 g/mol
LogP16.38
Rot. Bonds12

About 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen

6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen (PubChem CID 157085363) has the molecular formula C69H70N6O5 and a molecular weight of 1063.36 g/mol. Its IUPAC name is 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen.

Molecular Properties

Compound Name6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen
PubChem CID157085363
Molecular FormulaC69H70N6O5
Molecular Weight1063.36 g/mol
Exact Mass1062.54
IUPAC Name6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen
SMILESC.C.CCOC(=O)c1cc(C)c2cc(C3CC3)cc(-c3ccccc3)c2n1.Cc1cc(C(=O)NCc2cnccn2)nc2c(-c3ccccc3)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(-c3ccccc3)cc(C3CC3)cc12.[H][H]
InChIInChI=1S/C25H22N4O.C22H21NO2.C20H17NO2.2CH4.H2/c1-16-11-23(25(30)28-15-20-14-26-9-10-27-20)29-24-21(16)12-19(17-7-8-17)13-22(24)18-5-3-2-4-6-18;1-3-25-22(24)20-11-14(2)18-12-17(15-9-10-15)13-19(21(18)23-20)16-7-5-4-6-8-16;1-12-9-18(20(22)23)21-19-16(12)10-15(13-7-8-13)11-17(19)14-5-3-2-4-6-14;;;/h2-6,9-14,17H,7-8,15H2,1H3,(H,28,30);4-8,11-13,15H,3,9-10H2,1-2H3;2-6,9-11,13H,7-8H2,1H3,(H,22,23);2*1H4;1H
InChIKeyAEAHHCRCVCAOAV-UHFFFAOYSA-N
XLogP16.38
TPSA157.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.36
LogP ≤ 516.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen with MolForge

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Related Compounds

N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(2-pyridylmethoxy)-1-piperidyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]quinoline-2-carboxamide
CID 503206
ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-(1-methylcyclopropyl)-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate;4-methyl-6-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-(1-methylcyclopropyl)-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 157275795
N-[(5-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(5-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 157697413
6-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 157919415
6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 158227029
6-(2,2-difluorocyclopropyl)-4-methyl-N-[[(3R)-oxan-3-yl]methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 158809057
6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 159177443
6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 159326265
6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 159603872
6-(2,2-difluorocyclopropyl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 6-ethenyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 160238474
4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 160691519
potassium;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethenyl(trifluoro)boranuide;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 160837427

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen?
The IUPAC name of 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen (CID 157085363) is 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen.
What is the SMILES notation for 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen?
The canonical SMILES for 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen is C.C.CCOC(=O)c1cc(C)c2cc(C3CC3)cc(-c3ccccc3)c2n1.Cc1cc(C(=O)NCc2cnccn2)nc2c(-c3ccccc3)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(-c3ccccc3)cc(C3CC3)cc12.[H][H].
What is the InChIKey of 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen?
The InChIKey is AEAHHCRCVCAOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O.C22H21NO2.C20H17NO2.2CH4.H2/c1-16-11-23(25(30)28-15-20-14-26-9-10-27-20)29-24-21(16)12-19(17-7-8-17)13-22(24)18-5-3-2-4-6-18;1-3-25-22(24)20-11-14(2)18-12-17(15-9-10-15)13-19(21(18)23-20)16-7-5-4-6-8-16;1-12-9-18(20(22)23)21-19-16(12)10-15(13-7-8-13)11-17(19)14-5-3-2-4-6-14;;;/h2-6,9-14,17H,7-8,15H2,1H3,(H,28,30);4-8,11-13,15H,3,9-10H2,1-2H3;2-6,9-11,13H,7-8H2,1H3,(H,22,23);2*1H4;1H.
What are the key properties of 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen?
6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen has a molecular weight of 1063.36 g/mol, XLogP of 16.38, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen is sourced from PubChem (CID 157085363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).