[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone

C25H27FN4O2 — CID 53329177

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(F)cc(C(=O)N2CCCC2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C25H27FN4O2/c1-16-12-19(26)15-20(25(31)30-6-2-3-7-30)23(16)17-4-5-21-18(13-17)14-22(24(27)28-21)29-8-10-32-11-9-29/h4-5,12-15H,2-3,6-11H2,1H3,(H2,27,28)
InChIKeyQSBUJXVQUBTXGW-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.00
Rot. Bonds3

About [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 53329177) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone
PubChem CID53329177
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(F)cc(C(=O)N2CCCC2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C25H27FN4O2/c1-16-12-19(26)15-20(25(31)30-6-2-3-7-30)23(16)17-4-5-21-18(13-17)14-22(24(27)28-21)29-8-10-32-11-9-29/h4-5,12-15H,2-3,6-11H2,1H3,(H2,27,28)
InChIKeyQSBUJXVQUBTXGW-UHFFFAOYSA-N
XLogP4.00
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 67379487
[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]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 71253357
[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]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71253102
[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-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 53330406
[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]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 71253254
6-[2-(benzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 86676838
2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 67379227
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 71260946

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone (CID 53329177) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone is Cc1cc(F)cc(C(=O)N2CCCC2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QSBUJXVQUBTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-16-12-19(26)15-20(25(31)30-6-2-3-7-30)23(16)17-4-5-21-18(13-17)14-22(24(27)28-21)29-8-10-32-11-9-29/h4-5,12-15H,2-3,6-11H2,1H3,(H2,27,28).
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-5-fluoro-3-methylphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 434.52 g/mol, XLogP of 4.00, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53329177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).