2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile

C18H13ClN4O2 — CID 9294798

IUPAC2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
SMILESCc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1ccc(OCC#N)cc1
InChIInChI=1S/C18H13ClN4O2/c1-12-22-17-10-14(19)4-7-16(17)18(24)23(12)21-11-13-2-5-15(6-3-13)25-9-8-20/h2-7,10-11H,9H2,1H3/b21-11-
InChIKeyIPRGDNFGTLRSEO-NHDPSOOVSA-N
MW352.78 g/mol
LogP3.14
Rot. Bonds4

About 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile

2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile (PubChem CID 9294798) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
PubChem CID9294798
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
SMILESCc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1ccc(OCC#N)cc1
InChIInChI=1S/C18H13ClN4O2/c1-12-22-17-10-14(19)4-7-16(17)18(24)23(12)21-11-13-2-5-15(6-3-13)25-9-8-20/h2-7,10-11H,9H2,1H3/b21-11-
InChIKeyIPRGDNFGTLRSEO-NHDPSOOVSA-N
XLogP3.14
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile with MolForge

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Related Compounds

3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 126291580
2-[3-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 126288296
7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one
CID 9294801
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 74406616
7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9155005
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-[2-chloro-6-ethoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 126408443
2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetonitrile
CID 126294402
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile (CID 9294798) is 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile is Cc1nc2cc(Cl)ccc2c(=O)n1/N=C\c1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile?
The InChIKey is IPRGDNFGTLRSEO-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-12-22-17-10-14(19)4-7-16(17)18(24)23(12)21-11-13-2-5-15(6-3-13)25-9-8-20/h2-7,10-11H,9H2,1H3/b21-11-.
What are the key properties of 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile?
2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile has a molecular weight of 352.78 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile is sourced from PubChem (CID 9294798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).