7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline

C27H25ClN6O — CID 20874543

IUPAC7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
SMILESCOc1cccc(N2CCN(c3nc4c(-c5cccc(C)c5)nnn4c4ccc(Cl)cc34)CC2)c1
InChIInChI=1S/C27H25ClN6O/c1-18-5-3-6-19(15-18)25-27-29-26(23-16-20(28)9-10-24(23)34(27)31-30-25)33-13-11-32(12-14-33)21-7-4-8-22(17-21)35-2/h3-10,15-17H,11-14H2,1-2H3
InChIKeyBPGMHAQJGWDFRG-UHFFFAOYSA-N
MW484.99 g/mol
LogP5.24
Rot. Bonds4

About 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline

7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline (PubChem CID 20874543) has the molecular formula C27H25ClN6O and a molecular weight of 484.99 g/mol. Its IUPAC name is 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
PubChem CID20874543
Molecular FormulaC27H25ClN6O
Molecular Weight484.99 g/mol
Exact Mass484.18
IUPAC Name7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
SMILESCOc1cccc(N2CCN(c3nc4c(-c5cccc(C)c5)nnn4c4ccc(Cl)cc34)CC2)c1
InChIInChI=1S/C27H25ClN6O/c1-18-5-3-6-19(15-18)25-27-29-26(23-16-20(28)9-10-24(23)34(27)31-30-25)33-13-11-32(12-14-33)21-7-4-8-22(17-21)35-2/h3-10,15-17H,11-14H2,1-2H3
InChIKeyBPGMHAQJGWDFRG-UHFFFAOYSA-N
XLogP5.24
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.99
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]thiomorpholine
CID 20874546
5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
CID 16813284
4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874488
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43808214
5-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 133282150
7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline
CID 110434228
3-chloro-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
CID 22109194
4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 133282077
6-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081574
[2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 46170321
4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4617707
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391904

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline?
The IUPAC name of 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline (CID 20874543) is 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline.
What is the SMILES notation for 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline?
The canonical SMILES for 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline is COc1cccc(N2CCN(c3nc4c(-c5cccc(C)c5)nnn4c4ccc(Cl)cc34)CC2)c1.
What is the InChIKey of 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline?
The InChIKey is BPGMHAQJGWDFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O/c1-18-5-3-6-19(15-18)25-27-29-26(23-16-20(28)9-10-24(23)34(27)31-30-25)33-13-11-32(12-14-33)21-7-4-8-22(17-21)35-2/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline?
7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline has a molecular weight of 484.99 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenyl)triazolo[1,5-a]quinazoline is sourced from PubChem (CID 20874543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).