ethyl 4-(2-propylquinazolin-4-yl)benzoate

C20H20N2O2 — CID 142506086

IUPACethyl 4-(2-propylquinazolin-4-yl)benzoate
SMILESCCCc1nc(-c2ccc(C(=O)OCC)cc2)c2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-3-7-18-21-17-9-6-5-8-16(17)19(22-18)14-10-12-15(13-11-14)20(23)24-4-2/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyOOETWZLAZBMSQN-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.43
Rot. Bonds5

About ethyl 4-(2-propylquinazolin-4-yl)benzoate

ethyl 4-(2-propylquinazolin-4-yl)benzoate (PubChem CID 142506086) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-(2-propylquinazolin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-propylquinazolin-4-yl)benzoate
PubChem CID142506086
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Nameethyl 4-(2-propylquinazolin-4-yl)benzoate
SMILESCCCc1nc(-c2ccc(C(=O)OCC)cc2)c2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-3-7-18-21-17-9-6-5-8-16(17)19(22-18)14-10-12-15(13-11-14)20(23)24-4-2/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyOOETWZLAZBMSQN-UHFFFAOYSA-N
XLogP4.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(9-phenylacridin-2-yl)benzoate
CID 132505000
ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
CID 112816009
ethyl 4-pentyl-2-phenylquinoline-3-carboxylate
CID 45141730
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390
ethyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate
CID 23800005
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-propylquinazolin-4-yl)benzoate?
The IUPAC name of ethyl 4-(2-propylquinazolin-4-yl)benzoate (CID 142506086) is ethyl 4-(2-propylquinazolin-4-yl)benzoate.
What is the SMILES notation for ethyl 4-(2-propylquinazolin-4-yl)benzoate?
The canonical SMILES for ethyl 4-(2-propylquinazolin-4-yl)benzoate is CCCc1nc(-c2ccc(C(=O)OCC)cc2)c2ccccc2n1.
What is the InChIKey of ethyl 4-(2-propylquinazolin-4-yl)benzoate?
The InChIKey is OOETWZLAZBMSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-7-18-21-17-9-6-5-8-16(17)19(22-18)14-10-12-15(13-11-14)20(23)24-4-2/h5-6,8-13H,3-4,7H2,1-2H3.
What are the key properties of ethyl 4-(2-propylquinazolin-4-yl)benzoate?
ethyl 4-(2-propylquinazolin-4-yl)benzoate has a molecular weight of 320.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-propylquinazolin-4-yl)benzoate is sourced from PubChem (CID 142506086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).