4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide

C23H26N4O2 — CID 118339808

IUPAC4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2c(C(=O)NCCN3CCCC3)cccc12
InChIInChI=1S/C23H26N4O2/c1-16-7-8-17(28)15-21(16)26-20-9-10-24-22-18(20)5-4-6-19(22)23(29)25-11-14-27-12-2-3-13-27/h4-10,15,28H,2-3,11-14H2,1H3,(H,24,26)(H,25,29)
InChIKeyCYRXSUJPBLTQNX-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.82
Rot. Bonds6

About 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide

4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide (PubChem CID 118339808) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide
PubChem CID118339808
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2c(C(=O)NCCN3CCCC3)cccc12
InChIInChI=1S/C23H26N4O2/c1-16-7-8-17(28)15-21(16)26-20-9-10-24-22-18(20)5-4-6-19(22)23(29)25-11-14-27-12-2-3-13-27/h4-10,15,28H,2-3,11-14H2,1H3,(H,24,26)(H,25,29)
InChIKeyCYRXSUJPBLTQNX-UHFFFAOYSA-N
XLogP3.82
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-8-carboxamide
CID 118339805
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-(2-piperidin-1-ylethyl)-2,1,3-benzothiadiazole-4-carboxamide
CID 42545374
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
1-[[4-(5-hydroxy-2-methylanilino)quinolin-8-yl]-methyl-nitroso-λ4-sulfanyl]ethanone
CID 87658008
9-hydroxy-5-methyl-N-(2-pyrrolidin-1-ylethyl)-6H-pyrido[4,3-b]carbazole-1-carboxamide
CID 18982842
4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 162763930
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide?
The IUPAC name of 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide (CID 118339808) is 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide.
What is the SMILES notation for 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide?
The canonical SMILES for 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide is Cc1ccc(O)cc1Nc1ccnc2c(C(=O)NCCN3CCCC3)cccc12.
What is the InChIKey of 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide?
The InChIKey is CYRXSUJPBLTQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-7-8-17(28)15-21(16)26-20-9-10-24-22-18(20)5-4-6-19(22)23(29)25-11-14-27-12-2-3-13-27/h4-10,15,28H,2-3,11-14H2,1H3,(H,24,26)(H,25,29).
What are the key properties of 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide?
4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide is sourced from PubChem (CID 118339808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).