2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile

C14H14ClN3 — CID 112617893

IUPAC2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClN3/c1-9(2)18-13(8-16)11-5-6-12(15)10-4-3-7-17-14(10)11/h3-7,9,13,18H,1-2H3
InChIKeyRHBVWEKYBLOHLB-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.45
Rot. Bonds3

About 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile

2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile (PubChem CID 112617893) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile
PubChem CID112617893
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClN3/c1-9(2)18-13(8-16)11-5-6-12(15)10-4-3-7-17-14(10)11/h3-7,9,13,18H,1-2H3
InChIKeyRHBVWEKYBLOHLB-UHFFFAOYSA-N
XLogP3.45
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-azidopropylamino)-2-(5-chloroquinolin-8-yl)acetonitrile
CID 115959603
2-(5-chloroquinolin-8-yl)-2-(1,4-diazepan-1-yl)acetonitrile
CID 115959575
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
CID 112617871
1-(5-chloroquinolin-8-yl)-3-propan-2-ylthiourea
CID 115577732
2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 112617884
2-anilino-2-(5-bromoquinolin-8-yl)acetonitrile
CID 115959570
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile (CID 112617893) is 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile is CC(C)NC(C#N)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile?
The InChIKey is RHBVWEKYBLOHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-9(2)18-13(8-16)11-5-6-12(15)10-4-3-7-17-14(10)11/h3-7,9,13,18H,1-2H3.
What are the key properties of 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile?
2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile has a molecular weight of 259.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-2-(propan-2-ylamino)acetonitrile is sourced from PubChem (CID 112617893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).