2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile

C25H26FN5O2 — CID 142948372

IUPAC2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N2CCCCC2)nc2cc(N3CCOCC3)c(F)cc2c1=O
InChIInChI=1S/C25H26FN5O2/c26-21-14-20-22(15-23(21)29-10-12-33-13-11-29)28-25(30-8-4-1-5-9-30)31(24(20)32)17-19-7-3-2-6-18(19)16-27/h2-3,6-7,14-15H,1,4-5,8-13,17H2
InChIKeyCMQLEKKDXYEXND-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.28
Rot. Bonds4

About 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile

2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile (PubChem CID 142948372) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile
PubChem CID142948372
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N2CCCCC2)nc2cc(N3CCOCC3)c(F)cc2c1=O
InChIInChI=1S/C25H26FN5O2/c26-21-14-20-22(15-23(21)29-10-12-33-13-11-29)28-25(30-8-4-1-5-9-30)31(24(20)32)17-19-7-3-2-6-18(19)16-27/h2-3,6-7,14-15H,1,4-5,8-13,17H2
InChIKeyCMQLEKKDXYEXND-UHFFFAOYSA-N
XLogP3.28
TPSA74.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(3-aminopiperidin-1-yl)-6-chloro-4-oxoquinazolin-3-yl]methyl]benzonitrile
CID 68638333
2-[(4-oxo-2-piperidin-1-yl-6-propanoylthieno[3,2-d]pyrimidin-3-yl)methyl]benzonitrile
CID 135247928
2-[[6-(benzylamino)-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl]methyl]benzonitrile
CID 135248001
2-[(9-oxo-11-piperidin-1-yl-7-thia-10,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),11-trien-10-yl)methyl]benzonitrile
CID 135247950
N-[(2-chlorophenyl)methyl]-3-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidine-6-carboxamide
CID 135248006
3-but-2-ynyl-5-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylimidazo[4,5-c]pyridine-6-carboxamide
CID 58638278
2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
CID 123666107
2-[[2-(3-aminopiperidin-1-yl)-5-methyl-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzonitrile
CID 21054401
2-[[2-(3-aminopiperidin-1-yl)-6-oxo-5-pyrrolidin-1-ylpyrimidin-1-yl]methyl]benzonitrile
CID 23069612
2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-bromo-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl]methyl]benzonitrile
CID 57385071
2-[[2-(3-aminopiperidin-1-yl)-7-fluoro-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzonitrile
CID 78121998
5-hydroxy-2-[[4-oxo-2-piperidin-1-yl-7-(trifluoromethyl)thieno[3,2-d]pyrimidin-3-yl]methyl]benzonitrile
CID 123771054

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile?
The IUPAC name of 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile (CID 142948372) is 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile is N#Cc1ccccc1Cn1c(N2CCCCC2)nc2cc(N3CCOCC3)c(F)cc2c1=O.
What is the InChIKey of 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile?
The InChIKey is CMQLEKKDXYEXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-21-14-20-22(15-23(21)29-10-12-33-13-11-29)28-25(30-8-4-1-5-9-30)31(24(20)32)17-19-7-3-2-6-18(19)16-27/h2-3,6-7,14-15H,1,4-5,8-13,17H2.
What are the key properties of 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile?
2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile has a molecular weight of 447.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile is sourced from PubChem (CID 142948372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).