N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide

C27H29ClN4O2 — CID 42406669

IUPACN-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOCCN(Cc1cc2ccc(Cl)cc2nc1-c1cccc(C)c1)C(=O)CCn1ccc(C)n1
InChIInChI=1S/C27H29ClN4O2/c1-19-5-4-6-22(15-19)27-23(16-21-7-8-24(28)17-25(21)29-27)18-31(13-14-34-3)26(33)10-12-32-11-9-20(2)30-32/h4-9,11,15-17H,10,12-14,18H2,1-3H3
InChIKeyFRCGGLHVXIPDTL-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.43
Rot. Bonds9

About N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide

N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 42406669) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID42406669
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC NameN-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOCCN(Cc1cc2ccc(Cl)cc2nc1-c1cccc(C)c1)C(=O)CCn1ccc(C)n1
InChIInChI=1S/C27H29ClN4O2/c1-19-5-4-6-22(15-19)27-23(16-21-7-8-24(28)17-25(21)29-27)18-31(13-14-34-3)26(33)10-12-32-11-9-20(2)30-32/h4-9,11,15-17H,10,12-14,18H2,1-3H3
InChIKeyFRCGGLHVXIPDTL-UHFFFAOYSA-N
XLogP5.43
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 118757755
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CID 25465139
N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
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N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 26274431
N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 45181635
N-benzyl-N-(2-methoxyethyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
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N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
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N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide
CID 29084490
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
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N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-[[2-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]pyrazole-3-carboxamide
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N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 42406669) is N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide is COCCN(Cc1cc2ccc(Cl)cc2nc1-c1cccc(C)c1)C(=O)CCn1ccc(C)n1.
What is the InChIKey of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is FRCGGLHVXIPDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-19-5-4-6-22(15-19)27-23(16-21-7-8-24(28)17-25(21)29-27)18-31(13-14-34-3)26(33)10-12-32-11-9-20(2)30-32/h4-9,11,15-17H,10,12-14,18H2,1-3H3.
What are the key properties of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 477.01 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 42406669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).