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

C23H19ClN2O3 — CID 23735721

IUPAC2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline
SMILESCOc1ccc(COc2nc(-c3ccccc3Cl)nc3ccccc23)cc1OC
InChIInChI=1S/C23H19ClN2O3/c1-27-20-12-11-15(13-21(20)28-2)14-29-23-17-8-4-6-10-19(17)25-22(26-23)16-7-3-5-9-18(16)24/h3-13H,14H2,1-2H3
InChIKeyKNKVPNJJTUSLAH-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.55
Rot. Bonds6

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

2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline (PubChem CID 23735721) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline
PubChem CID23735721
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline
SMILESCOc1ccc(COc2nc(-c3ccccc3Cl)nc3ccccc23)cc1OC
InChIInChI=1S/C23H19ClN2O3/c1-27-20-12-11-15(13-21(20)28-2)14-29-23-17-8-4-6-10-19(17)25-22(26-23)16-7-3-5-9-18(16)24/h3-13H,14H2,1-2H3
InChIKeyKNKVPNJJTUSLAH-UHFFFAOYSA-N
XLogP5.55
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-4-ethoxyquinazoline
CID 914488
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole
CID 99806573
9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
CID 117068960
2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 91964583
4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline
CID 67702005
2-(4-methoxyquinazolin-2-yl)phenol
CID 4601327
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
CID 62504381
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline?
The IUPAC name of 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline (CID 23735721) is 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline is COc1ccc(COc2nc(-c3ccccc3Cl)nc3ccccc23)cc1OC.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline?
The InChIKey is KNKVPNJJTUSLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-27-20-12-11-15(13-21(20)28-2)14-29-23-17-8-4-6-10-19(17)25-22(26-23)16-7-3-5-9-18(16)24/h3-13H,14H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline?
2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline has a molecular weight of 406.87 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methoxy]quinazoline is sourced from PubChem (CID 23735721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).