N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide

C24H29N5O3 — CID 92639155

IUPACN-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc([C@H]2CCN(C(=O)c3ccnn3C(C)C)C2)nc2ccccc12
InChIInChI=1S/C24H29N5O3/c1-16(2)29-22(8-10-26-29)24(31)28-12-9-17(15-28)21-14-19(23(30)25-11-13-32-3)18-6-4-5-7-20(18)27-21/h4-8,10,14,16-17H,9,11-13,15H2,1-3H3,(H,25,30)/t17-/m0/s1
InChIKeyVKLAOWWSECOWIN-KRWDZBQOSA-N
MW435.53 g/mol
LogP3.02
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide

N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 92639155) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID92639155
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc([C@H]2CCN(C(=O)c3ccnn3C(C)C)C2)nc2ccccc12
InChIInChI=1S/C24H29N5O3/c1-16(2)29-22(8-10-26-29)24(31)28-12-9-17(15-28)21-14-19(23(30)25-11-13-32-3)18-6-4-5-7-20(18)27-21/h4-8,10,14,16-17H,9,11-13,15H2,1-3H3,(H,25,30)/t17-/m0/s1
InChIKeyVKLAOWWSECOWIN-KRWDZBQOSA-N
XLogP3.02
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92637916
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
2-[(3S)-1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92637717
N-(2-hydroxyethyl)-2-[(3R)-1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638858
N-(2-methoxyethyl)-2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636714
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636716
N-(2-methoxyethyl)-2-[(2R)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636717
N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251529
N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639170
2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638758

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 92639155) is N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide is COCCNC(=O)c1cc([C@H]2CCN(C(=O)c3ccnn3C(C)C)C2)nc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is VKLAOWWSECOWIN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16(2)29-22(8-10-26-29)24(31)28-12-9-17(15-28)21-14-19(23(30)25-11-13-32-3)18-6-4-5-7-20(18)27-21/h4-8,10,14,16-17H,9,11-13,15H2,1-3H3,(H,25,30)/t17-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92639155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).