[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone

C25H26F2N4O2 — CID 67379487

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESCc1cc(F)cc(C(=O)N2CC[C@@H](F)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C25H26F2N4O2/c1-15-10-19(27)13-20(25(32)31-5-4-18(26)14-31)23(15)16-2-3-21-17(11-16)12-22(24(28)29-21)30-6-8-33-9-7-30/h2-3,10-13,18H,4-9,14H2,1H3,(H2,28,29)/t18-/m1/s1
InChIKeyQDQUWPISVAIZJX-GOSISDBHSA-N
MW452.51 g/mol
LogP3.95
Rot. Bonds3

About [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 67379487) has the molecular formula C25H26F2N4O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID67379487
Molecular FormulaC25H26F2N4O2
Molecular Weight452.51 g/mol
Exact Mass452.20
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESCc1cc(F)cc(C(=O)N2CC[C@@H](F)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C25H26F2N4O2/c1-15-10-19(27)13-20(25(32)31-5-4-18(26)14-31)23(15)16-2-3-21-17(11-16)12-22(24(28)29-21)30-6-8-33-9-7-30/h2-3,10-13,18H,4-9,14H2,1H3,(H2,28,29)/t18-/m1/s1
InChIKeyQDQUWPISVAIZJX-GOSISDBHSA-N
XLogP3.95
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 71253357
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 53329177
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71253102
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-(3,3-dimethylbutyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 53329716
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-(3,3-dimethylbutyl)phenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 71253212
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 53330406
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone
CID 71253221
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methyl-2-pyridinyl)methanone
CID 71253478
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
CID 71253386
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-chlorophenyl]-morpholin-4-ylmethanone
CID 53328460
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 71253254
2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 67379227

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone (CID 67379487) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone is Cc1cc(F)cc(C(=O)N2CC[C@@H](F)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is QDQUWPISVAIZJX-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26F2N4O2/c1-15-10-19(27)13-20(25(32)31-5-4-18(26)14-31)23(15)16-2-3-21-17(11-16)12-22(24(28)29-21)30-6-8-33-9-7-30/h2-3,10-13,18H,4-9,14H2,1H3,(H2,28,29)/t18-/m1/s1.
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 452.51 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 67379487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).