N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide

C18H14ClN3O2 — CID 118259210

IUPACN-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ncc2cc(-c3c(O)cccc3Cl)ccc2n1
InChIInChI=1S/C18H14ClN3O2/c1-3-16(24)22(2)18-20-10-12-9-11(7-8-14(12)21-18)17-13(19)5-4-6-15(17)23/h3-10,23H,1H2,2H3
InChIKeyBWGKIDAACHAPGV-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.80
Rot. Bonds3

About N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide

N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide (PubChem CID 118259210) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide
PubChem CID118259210
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ncc2cc(-c3c(O)cccc3Cl)ccc2n1
InChIInChI=1S/C18H14ClN3O2/c1-3-16(24)22(2)18-20-10-12-9-11(7-8-14(12)21-18)17-13(19)5-4-6-15(17)23/h3-10,23H,1H2,2H3
InChIKeyBWGKIDAACHAPGV-UHFFFAOYSA-N
XLogP3.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide?
The IUPAC name of N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide (CID 118259210) is N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide?
The canonical SMILES for N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1ncc2cc(-c3c(O)cccc3Cl)ccc2n1.
What is the InChIKey of N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide?
The InChIKey is BWGKIDAACHAPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-3-16(24)22(2)18-20-10-12-9-11(7-8-14(12)21-18)17-13(19)5-4-6-15(17)23/h3-10,23H,1H2,2H3.
What are the key properties of N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide?
N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide has a molecular weight of 339.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloro-6-hydroxyphenyl)quinazolin-2-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 118259210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).