N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide

C25H25ClN4O3 — CID 18887047

IUPACN-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C25H25ClN4O3/c1-16-6-4-5-7-22(16)33-15-23(31)28-30-24(17-8-11-19(12-9-17)29(2)3)27-21-13-10-18(26)14-20(21)25(30)32/h4-14,24,27H,15H2,1-3H3,(H,28,31)
InChIKeyAVPURRFAFRMPBE-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.39
Rot. Bonds6

About N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide

N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 18887047) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID18887047
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC NameN-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C25H25ClN4O3/c1-16-6-4-5-7-22(16)33-15-23(31)28-30-24(17-8-11-19(12-9-17)29(2)3)27-21-13-10-18(26)14-20(21)25(30)32/h4-14,24,27H,15H2,1-3H3,(H,28,31)
InChIKeyAVPURRFAFRMPBE-UHFFFAOYSA-N
XLogP4.39
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887273
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 18887035
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 18887028
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887039
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887544
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887151
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887147
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
CID 18886863
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide
CID 18887543
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
CID 18887526
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide (CID 18887047) is N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1c1ccc(N(C)C)cc1.
What is the InChIKey of N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is AVPURRFAFRMPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-16-6-4-5-7-22(16)33-15-23(31)28-30-24(17-8-11-19(12-9-17)29(2)3)27-21-13-10-18(26)14-20(21)25(30)32/h4-14,24,27H,15H2,1-3H3,(H,28,31).
What are the key properties of N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide?
N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 464.95 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 18887047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).