2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline

C22H15Cl3N2O — CID 3715154

IUPAC2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline
SMILESClc1cccc(Cc2nc(OCc3ccc(Cl)cc3Cl)c3ccccc3n2)c1
InChIInChI=1S/C22H15Cl3N2O/c23-16-5-3-4-14(10-16)11-21-26-20-7-2-1-6-18(20)22(27-21)28-13-15-8-9-17(24)12-19(15)25/h1-10,12H,11,13H2
InChIKeyZWLWNRXKKLZNHJ-UHFFFAOYSA-N
MW429.73 g/mol
LogP6.76
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline

2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline (PubChem CID 3715154) has the molecular formula C22H15Cl3N2O and a molecular weight of 429.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline
PubChem CID3715154
Molecular FormulaC22H15Cl3N2O
Molecular Weight429.73 g/mol
Exact Mass428.02
IUPAC Name2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline
SMILESClc1cccc(Cc2nc(OCc3ccc(Cl)cc3Cl)c3ccccc3n2)c1
InChIInChI=1S/C22H15Cl3N2O/c23-16-5-3-4-14(10-16)11-21-26-20-7-2-1-6-18(20)22(27-21)28-13-15-8-9-17(24)12-19(15)25/h1-10,12H,11,13H2
InChIKeyZWLWNRXKKLZNHJ-UHFFFAOYSA-N
XLogP6.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.73
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
2-chloro-6-[(2,4-dichlorophenyl)methoxy]pyridine
CID 121012693
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634
4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
CID 23614355
[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
CID 65126437
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
2-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 126272669

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline (CID 3715154) is 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline is Clc1cccc(Cc2nc(OCc3ccc(Cl)cc3Cl)c3ccccc3n2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline?
The InChIKey is ZWLWNRXKKLZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O/c23-16-5-3-4-14(10-16)11-21-26-20-7-2-1-6-18(20)22(27-21)28-13-15-8-9-17(24)12-19(15)25/h1-10,12H,11,13H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline?
2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline has a molecular weight of 429.73 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4-[(2,4-dichlorophenyl)methoxy]quinazoline is sourced from PubChem (CID 3715154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).