2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile

C25H27N5O — CID 86580985

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile
SMILESN#Cc1cc(Nc2ccc3ccccc3n2)ccc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C25H27N5O/c26-18-20-17-21(27-25-8-5-19-3-1-2-4-23(19)28-25)6-7-24(20)30-11-9-22(10-12-30)29-13-15-31-16-14-29/h1-8,17,22H,9-16H2,(H,27,28)
InChIKeyUNDWUONCHKASAX-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile

2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile (PubChem CID 86580985) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile
PubChem CID86580985
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile
SMILESN#Cc1cc(Nc2ccc3ccccc3n2)ccc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C25H27N5O/c26-18-20-17-21(27-25-8-5-19-3-1-2-4-23(19)28-25)6-7-24(20)30-11-9-22(10-12-30)29-13-15-31-16-14-29/h1-8,17,22H,9-16H2,(H,27,28)
InChIKeyUNDWUONCHKASAX-UHFFFAOYSA-N
XLogP4.15
TPSA64.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-iodophenyl)-5-methylpyrazole-4-carboxamide
CID 22227924
1-[1-(4-chlorophenyl)triazol-4-yl]-3-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]urea
CID 86581851
4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
CID 122554560
ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
CID 144714319
N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide;methane
CID 158319289
2-(4-hydroxypiperidin-1-yl)-5-(quinazolin-4-ylamino)benzonitrile
CID 133324873
5-[[7-[3-fluoro-4-(3-morpholin-4-yloxiran-2-yl)phenyl]-1,3-benzoxazol-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzonitrile
CID 143641461
2-(4-hydroxypiperidin-1-yl)-5-[(6-methylpyrimidin-4-yl)amino]benzonitrile
CID 133324868
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
2-(4-hydroxypiperidin-1-yl)-5-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzonitrile
CID 133324910
2-(oxan-4-ylamino)quinoline-4-carbonitrile
CID 63885816
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile (CID 86580985) is 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile is N#Cc1cc(Nc2ccc3ccccc3n2)ccc1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile?
The InChIKey is UNDWUONCHKASAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c26-18-20-17-21(27-25-8-5-19-3-1-2-4-23(19)28-25)6-7-24(20)30-11-9-22(10-12-30)29-13-15-31-16-14-29/h1-8,17,22H,9-16H2,(H,27,28).
What are the key properties of 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile?
2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile has a molecular weight of 413.53 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile is sourced from PubChem (CID 86580985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).