2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile

C16H11ClN4 — CID 62476495

IUPAC2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C16H11ClN4/c17-16-20-14-4-2-1-3-13(14)15(21-16)19-12-7-5-11(6-8-12)9-10-18/h1-8H,9H2,(H,19,20,21)
InChIKeyBDXKGHGEZQRJNF-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.09
Rot. Bonds3

About 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile

2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile (PubChem CID 62476495) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile
PubChem CID62476495
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C16H11ClN4/c17-16-20-14-4-2-1-3-13(14)15(21-16)19-12-7-5-11(6-8-12)9-10-18/h1-8H,9H2,(H,19,20,21)
InChIKeyBDXKGHGEZQRJNF-UHFFFAOYSA-N
XLogP4.09
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide
CID 22693251

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile (CID 62476495) is 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile is N#CCc1ccc(Nc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile?
The InChIKey is BDXKGHGEZQRJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-16-20-14-4-2-1-3-13(14)15(21-16)19-12-7-5-11(6-8-12)9-10-18/h1-8H,9H2,(H,19,20,21).
What are the key properties of 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile?
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile has a molecular weight of 294.75 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile is sourced from PubChem (CID 62476495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).