N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C23H27ClN4O3 — CID 126464206

IUPACN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCN(Cc1cc2ccc(Cl)cc2nc1N(C)C)C(=O)c1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C23H27ClN4O3/c1-14-10-19(22(29)25-15(14)2)23(30)28(8-9-31-5)13-17-11-16-6-7-18(24)12-20(16)26-21(17)27(3)4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,29)
InChIKeyKSZSWVVLFNXEOQ-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.55
Rot. Bonds7

About N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126464206) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126464206
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC NameN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCN(Cc1cc2ccc(Cl)cc2nc1N(C)C)C(=O)c1cc(C)c(C)[nH]c1=O
InChIInChI=1S/C23H27ClN4O3/c1-14-10-19(22(29)25-15(14)2)23(30)28(8-9-31-5)13-17-11-16-6-7-18(24)12-20(16)26-21(17)27(3)4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,29)
InChIKeyKSZSWVVLFNXEOQ-UHFFFAOYSA-N
XLogP3.55
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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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-[3-(hydroxymethyl)piperidin-1-yl]quinolin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 118760557
1-(4-chlorophenyl)-N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 26326793
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CID 2987726
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5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
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3-chloro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 126464206) is N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is COCCN(Cc1cc2ccc(Cl)cc2nc1N(C)C)C(=O)c1cc(C)c(C)[nH]c1=O.
What is the InChIKey of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KSZSWVVLFNXEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-14-10-19(22(29)25-15(14)2)23(30)28(8-9-31-5)13-17-11-16-6-7-18(24)12-20(16)26-21(17)27(3)4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,29).
What are the key properties of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126464206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).