5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide

C30H38N6O2 — CID 172514543

IUPAC5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OCCN(C)C)cc1C(=O)N[C@H](C)c1cc(-c2cnn(CCN(C)C)c2)nc2ccccc12
InChIInChI=1S/C30H38N6O2/c1-21-11-12-24(38-16-15-35(5)6)17-26(21)30(37)32-22(2)27-18-29(33-28-10-8-7-9-25(27)28)23-19-31-36(20-23)14-13-34(3)4/h7-12,17-20,22H,13-16H2,1-6H3,(H,32,37)/t22-/m1/s1
InChIKeyCSCVHCFHUILKAF-JOCHJYFZSA-N
MW514.67 g/mol
LogP4.40
Rot. Bonds11

About 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide

5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide (PubChem CID 172514543) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide
PubChem CID172514543
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC Name5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OCCN(C)C)cc1C(=O)N[C@H](C)c1cc(-c2cnn(CCN(C)C)c2)nc2ccccc12
InChIInChI=1S/C30H38N6O2/c1-21-11-12-24(38-16-15-35(5)6)17-26(21)30(37)32-22(2)27-18-29(33-28-10-8-7-9-25(27)28)23-19-31-36(20-23)14-13-34(3)4/h7-12,17-20,22H,13-16H2,1-6H3,(H,32,37)/t22-/m1/s1
InChIKeyCSCVHCFHUILKAF-JOCHJYFZSA-N
XLogP4.40
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-[2-(1-cyclobutylpyrazol-4-yl)quinolin-4-yl]ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
CID 172514632
5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide
CID 172514516
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 92627015
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518649
methyl 1-methyl-4-[4-[(1R)-1-[[2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]ethyl]quinolin-2-yl]pyrrole-2-carboxylate
CID 171792090
5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl]benzamide
CID 171109187
2-methyl-4-[(1-methylimidazol-2-yl)methylsulfinylmethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]benzamide
CID 171792417
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
tert-butyl N-[[3-[[(1R)-1-[2-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]quinolin-4-yl]ethyl]carbamoyl]-4-methylphenyl]methyl]carbamate
CID 171792171
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518692

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide (CID 172514543) is 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide is Cc1ccc(OCCN(C)C)cc1C(=O)N[C@H](C)c1cc(-c2cnn(CCN(C)C)c2)nc2ccccc12.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide?
The InChIKey is CSCVHCFHUILKAF-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-21-11-12-24(38-16-15-35(5)6)17-26(21)30(37)32-22(2)27-18-29(33-28-10-8-7-9-25(27)28)23-19-31-36(20-23)14-13-34(3)4/h7-12,17-20,22H,13-16H2,1-6H3,(H,32,37)/t22-/m1/s1.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide?
5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide has a molecular weight of 514.67 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 172514543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).