2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde

C24H25FN4O2 — CID 90309180

IUPAC2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde
SMILESNc1nc2ccc(-c3c(F)cccc3C3CCCN3C=O)cc2cc1N1CCOCC1
InChIInChI=1S/C24H25FN4O2/c25-19-4-1-3-18(21-5-2-8-29(21)15-30)23(19)16-6-7-20-17(13-16)14-22(24(26)27-20)28-9-11-31-12-10-28/h1,3-4,6-7,13-15,21H,2,5,8-12H2,(H2,26,27)
InChIKeyFXXMHHZTOVMIOK-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.75
Rot. Bonds4

About 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde

2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde (PubChem CID 90309180) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde
PubChem CID90309180
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde
SMILESNc1nc2ccc(-c3c(F)cccc3C3CCCN3C=O)cc2cc1N1CCOCC1
InChIInChI=1S/C24H25FN4O2/c25-19-4-1-3-18(21-5-2-8-29(21)15-30)23(19)16-6-7-20-17(13-16)14-22(24(26)27-20)28-9-11-31-12-10-28/h1,3-4,6-7,13-15,21H,2,5,8-12H2,(H2,26,27)
InChIKeyFXXMHHZTOVMIOK-UHFFFAOYSA-N
XLogP3.75
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenylquinolin-3-yl)urea
CID 122424505
N-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 163286303
N-[2-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 163286371
2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methyl-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 145953958
N-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methylphenyl]-4-methylpiperazine-1-carboxamide
CID 163286317
3-(2-Morpholino-3-phenylquinolin-4-yl)oxazolidin-2-one
CID 24747782
5-(4-Fluorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)-3,4-dihydropyrazole-2-carbaldehyde
CID 127030659
3-[8-Fluoro-2-(morpholin-4-YL)quinolin-6-YL]-1-phenylurea
CID 53110799
3-[8-Fluoro-2-(morpholin-4-YL)quinolin-6-YL]-1-(4-methylphenyl)urea
CID 53110806
1-(2,4-Dimethylphenyl)-3-[8-fluoro-2-(morpholin-4-YL)quinolin-6-YL]urea
CID 53110817
6-(4-Fluorophenyl)-4-morpholino-quinazolin-2-amine
CID 24810065
N-ethyl-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide
CID 24733593

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde (CID 90309180) is 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde is Nc1nc2ccc(-c3c(F)cccc3C3CCCN3C=O)cc2cc1N1CCOCC1.
What is the InChIKey of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde?
The InChIKey is FXXMHHZTOVMIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-19-4-1-3-18(21-5-2-8-29(21)15-30)23(19)16-6-7-20-17(13-16)14-22(24(26)27-20)28-9-11-31-12-10-28/h1,3-4,6-7,13-15,21H,2,5,8-12H2,(H2,26,27).
What are the key properties of 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde?
2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde has a molecular weight of 420.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-fluorophenyl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 90309180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).