N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C22H20N4O3S — CID 52659842

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(C)cc4C)cs3)ccc2c1=O
InChIInChI=1S/C22H20N4O3S/c1-4-26-20(28)16-8-6-14(10-17(16)24-22(26)29)19(27)25-21-23-18(11-30-21)15-7-5-12(2)9-13(15)3/h5-11H,4H2,1-3H3,(H,24,29)(H,23,25,27)
InChIKeyWMBHQVZXHCQGSV-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.70
Rot. Bonds4

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 52659842) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID52659842
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(C)cc4C)cs3)ccc2c1=O
InChIInChI=1S/C22H20N4O3S/c1-4-26-20(28)16-8-6-14(10-17(16)24-22(26)29)19(27)25-21-23-18(11-30-21)15-7-5-12(2)9-13(15)3/h5-11H,4H2,1-3H3,(H,24,29)(H,23,25,27)
InChIKeyWMBHQVZXHCQGSV-UHFFFAOYSA-N
XLogP3.70
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 47049455
3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 167850294
1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide
CID 24568998
3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659812
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 35875919
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
CID 37020742
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 94132682
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587131

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 52659842) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc(C)cc4C)cs3)ccc2c1=O.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is WMBHQVZXHCQGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-4-26-20(28)16-8-6-14(10-17(16)24-22(26)29)19(27)25-21-23-18(11-30-21)15-7-5-12(2)9-13(15)3/h5-11H,4H2,1-3H3,(H,24,29)(H,23,25,27).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 52659842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).