2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile

C19H17ClN4O — CID 11998085

IUPAC2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile
SMILESCC(C)Nc1ncc2cc(-c3ccccc3Cl)c(OCC#N)cc2n1
InChIInChI=1S/C19H17ClN4O/c1-12(2)23-19-22-11-13-9-15(14-5-3-4-6-16(14)20)18(25-8-7-21)10-17(13)24-19/h3-6,9-12H,8H2,1-2H3,(H,22,23,24)
InChIKeyIHKULOZDPXUFHK-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.67
Rot. Bonds5

About 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile

2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile (PubChem CID 11998085) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile.

Molecular Properties

Compound Name2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile
PubChem CID11998085
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile
SMILESCC(C)Nc1ncc2cc(-c3ccccc3Cl)c(OCC#N)cc2n1
InChIInChI=1S/C19H17ClN4O/c1-12(2)23-19-22-11-13-9-15(14-5-3-4-6-16(14)20)18(25-8-7-21)10-17(13)24-19/h3-6,9-12H,8H2,1-2H3,(H,22,23,24)
InChIKeyIHKULOZDPXUFHK-UHFFFAOYSA-N
XLogP4.67
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl] trifluoromethanesulfonate
CID 87254048
6,8-bis(2-chlorophenyl)-7-(methoxymethoxy)-N-propan-2-ylquinazolin-2-amine
CID 11999308
6-(furan-2-yl)-7-methoxy-N-propan-2-ylquinazolin-2-amine
CID 67061404
7-methoxy-N-(3-methylbutyl)-6-(2-methylphenyl)quinazolin-2-amine
CID 67061469
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]propanal
CID 91241360
2-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methylpentanal
CID 91429644
2-[4-[1-(2,6-dichloroanilino)ethyl]phenoxy]acetonitrile
CID 65468956
5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 52942781
6-(2-chlorophenyl)-8-methyl-2-(3-methylsulfonylbutan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162314511
4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine
CID 172765369
2-(propan-2-ylamino)quinazoline-6-carboxylic acid
CID 165494304
2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide
CID 67061710

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile?
The IUPAC name of 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile (CID 11998085) is 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile.
What is the SMILES notation for 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile?
The canonical SMILES for 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile is CC(C)Nc1ncc2cc(-c3ccccc3Cl)c(OCC#N)cc2n1.
What is the InChIKey of 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile?
The InChIKey is IHKULOZDPXUFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12(2)23-19-22-11-13-9-15(14-5-3-4-6-16(14)20)18(25-8-7-21)10-17(13)24-19/h3-6,9-12H,8H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile?
2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile has a molecular weight of 352.83 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chlorophenyl)-2-(propan-2-ylamino)quinazolin-7-yl]oxyacetonitrile is sourced from PubChem (CID 11998085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).