6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline

C22H18ClFN2 — CID 54757709

IUPAC6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1ccccc1F
InChIInChI=1S/C22H18ClFN2/c1-15-25-21-12-11-18(23)13-19(21)22(16-7-3-2-4-8-16)26(15)14-17-9-5-6-10-20(17)24/h2-13,22H,14H2,1H3
InChIKeyWDWQMEVYADKWMN-UHFFFAOYSA-N
MW364.85 g/mol
LogP6.13
Rot. Bonds3

About 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline

6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline (PubChem CID 54757709) has the molecular formula C22H18ClFN2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline.

Molecular Properties

Compound Name6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
PubChem CID54757709
Molecular FormulaC22H18ClFN2
Molecular Weight364.85 g/mol
Exact Mass364.11
IUPAC Name6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1ccccc1F
InChIInChI=1S/C22H18ClFN2/c1-15-25-21-12-11-18(23)13-19(21)22(16-7-3-2-4-8-16)26(15)14-17-9-5-6-10-20(17)24/h2-13,22H,14H2,1H3
InChIKeyWDWQMEVYADKWMN-UHFFFAOYSA-N
XLogP6.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905532
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
CID 54669774
6-chloro-4-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756883
6-chloro-2-methyl-4-(4-methylphenyl)-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756886
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
CID 54757712
6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
CID 54757807
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
6-chloro-4-(3-fluorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54758371
8-Chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3H-imidazo(1,5-a)(1,4)benzodiazepine
CID 11023909
2-Chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 12344042
3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-N-(phenylmethyl)-, 4-oxide
CID 46296

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline?
The IUPAC name of 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline (CID 54757709) is 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline.
What is the SMILES notation for 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline?
The canonical SMILES for 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1ccccc1F.
What is the InChIKey of 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline?
The InChIKey is WDWQMEVYADKWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2/c1-15-25-21-12-11-18(23)13-19(21)22(16-7-3-2-4-8-16)26(15)14-17-9-5-6-10-20(17)24/h2-13,22H,14H2,1H3.
What are the key properties of 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline?
6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline has a molecular weight of 364.85 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline is sourced from PubChem (CID 54757709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).