4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline

C28H21ClFN3O2 — CID 123592069

IUPAC4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(OCCc4ccc(F)c(Cl)c4)c3c2)c1
InChIInChI=1S/C28H21ClFN3O2/c1-34-22-6-2-4-19(15-22)20-8-10-26-23(16-20)28(33-27(32-26)21-5-3-12-31-17-21)35-13-11-18-7-9-25(30)24(29)14-18/h2-10,12,14-17H,11,13H2,1H3
InChIKeyBYLRGQQDJTXCAH-UHFFFAOYSA-N
MW485.95 g/mol
LogP6.78
Rot. Bonds7

About 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline

4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline (PubChem CID 123592069) has the molecular formula C28H21ClFN3O2 and a molecular weight of 485.95 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
PubChem CID123592069
Molecular FormulaC28H21ClFN3O2
Molecular Weight485.95 g/mol
Exact Mass485.13
IUPAC Name4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(OCCc4ccc(F)c(Cl)c4)c3c2)c1
InChIInChI=1S/C28H21ClFN3O2/c1-34-22-6-2-4-19(15-22)20-8-10-26-23(16-20)28(33-27(32-26)21-5-3-12-31-17-21)35-13-11-18-7-9-25(30)24(29)14-18/h2-10,12,14-17H,11,13H2,1H3
InChIKeyBYLRGQQDJTXCAH-UHFFFAOYSA-N
XLogP6.78
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.95
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline with MolForge

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Related Compounds

8-(6-Chloropyrimidin-4-yl)oxyquinoline
CID 57600071
4-(4-Methoxyphenoxy)-2-(pyridin-3-yl)quinazoline
CID 719310
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748083
4-(4-Methoxyphenoxy)-2-pyridin-2-ylquinazoline
CID 929911
4-(3-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 930112
4-(2-Fluorophenoxy)-2-(pyridin-4-yl)quinazoline
CID 930135
4-(4-Fluorophenoxy)-2-pyridin-2-ylquinazoline
CID 930136
4-(4-Propoxyphenoxy)-2-(pyridin-4-yl)quinazoline
CID 1883844
4-(4-Methoxyphenoxy)-2-(pyridin-4-yl)quinazoline
CID 921320
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 71663313
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-piperidin-1-ylphenyl)quinazolin-4-amine
CID 71663677

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline (CID 123592069) is 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(OCCc4ccc(F)c(Cl)c4)c3c2)c1.
What is the InChIKey of 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The InChIKey is BYLRGQQDJTXCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClFN3O2/c1-34-22-6-2-4-19(15-22)20-8-10-26-23(16-20)28(33-27(32-26)21-5-3-12-31-17-21)35-13-11-18-7-9-25(30)24(29)14-18/h2-10,12,14-17H,11,13H2,1H3.
What are the key properties of 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline has a molecular weight of 485.95 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-fluorophenyl)ethoxy]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 123592069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).