N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C20H21ClN4O3 — CID 55432797

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2N(C)C)c1=O
InChIInChI=1S/C20H21ClN4O3/c1-4-24-19(27)14-7-5-6-8-16(14)25(20(24)28)12-18(26)22-15-11-13(21)9-10-17(15)23(2)3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKeyBUZGWOQPQQKHJX-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.54
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 55432797) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID55432797
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2N(C)C)c1=O
InChIInChI=1S/C20H21ClN4O3/c1-4-24-19(27)14-7-5-6-8-16(14)25(20(24)28)12-18(26)22-15-11-13(21)9-10-17(15)23(2)3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKeyBUZGWOQPQQKHJX-UHFFFAOYSA-N
XLogP2.54
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide
CID 145469544
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55727822
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26660566
2-chloro-N,N-diethyl-4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzamide
CID 55673325
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 46554701
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 55432797) is N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2N(C)C)c1=O.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is BUZGWOQPQQKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-4-24-19(27)14-7-5-6-8-16(14)25(20(24)28)12-18(26)22-15-11-13(21)9-10-17(15)23(2)3/h5-11H,4,12H2,1-3H3,(H,22,26).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 400.87 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 55432797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).