N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide

C25H25N5O3 — CID 110251529

IUPACN-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1cccn2cc(C(=O)N3CCC(c4cc(C(=O)NCCO)c5ccccc5n4)C3)nc12
InChIInChI=1S/C25H25N5O3/c1-16-5-4-10-29-15-22(28-23(16)29)25(33)30-11-8-17(14-30)21-13-19(24(32)26-9-12-31)18-6-2-3-7-20(18)27-21/h2-7,10,13,15,17,31H,8-9,11-12,14H2,1H3,(H,26,32)
InChIKeyDTJXPICEGGBMPK-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.54
Rot. Bonds5

About N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide

N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 110251529) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID110251529
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1cccn2cc(C(=O)N3CCC(c4cc(C(=O)NCCO)c5ccccc5n4)C3)nc12
InChIInChI=1S/C25H25N5O3/c1-16-5-4-10-29-15-22(28-23(16)29)25(33)30-11-8-17(14-30)21-13-19(24(32)26-9-12-31)18-6-2-3-7-20(18)27-21/h2-7,10,13,15,17,31H,8-9,11-12,14H2,1H3,(H,26,32)
InChIKeyDTJXPICEGGBMPK-UHFFFAOYSA-N
XLogP2.54
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-[(3R)-1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638858
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 110251984
N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639155
N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638776
2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 110251414
2-[(2R)-4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 92638434
N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92637916
2-[(3S)-1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92637717
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222377
2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638758
N-(2-hydroxyethyl)-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110252018
N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638200

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 110251529) is N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide is Cc1cccn2cc(C(=O)N3CCC(c4cc(C(=O)NCCO)c5ccccc5n4)C3)nc12.
What is the InChIKey of N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is DTJXPICEGGBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-5-4-10-29-15-22(28-23(16)29)25(33)30-11-8-17(14-30)21-13-19(24(32)26-9-12-31)18-6-2-3-7-20(18)27-21/h2-7,10,13,15,17,31H,8-9,11-12,14H2,1H3,(H,26,32).
What are the key properties of N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 110251529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).