N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide

C26H22F3N5O4 — CID 11526540

IUPACN-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C26H22F3N5O4/c1-14(35)33(15(2)36)24-23-19-11-12-32(13-18-7-5-6-8-20(18)26(27,28)29)22(19)10-9-21(23)30-25(31-24)34(16(3)37)17(4)38/h5-12H,13H2,1-4H3
InChIKeyRHIGRXPIVZTMRS-UHFFFAOYSA-N
MW525.49 g/mol
LogP4.45
Rot. Bonds4

About N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide

N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide (PubChem CID 11526540) has the molecular formula C26H22F3N5O4 and a molecular weight of 525.49 g/mol. Its IUPAC name is N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide
PubChem CID11526540
Molecular FormulaC26H22F3N5O4
Molecular Weight525.49 g/mol
Exact Mass525.16
IUPAC NameN-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C26H22F3N5O4/c1-14(35)33(15(2)36)24-23-19-11-12-32(13-18-7-5-6-8-20(18)26(27,28)29)22(19)10-9-21(23)30-25(31-24)34(16(3)37)17(4)38/h5-12H,13H2,1-4H3
InChIKeyRHIGRXPIVZTMRS-UHFFFAOYSA-N
XLogP4.45
TPSA105.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1954U89
CID 177894
7-(1-Ethyl-propyl)-7H-pyrrolo-[3,2-F]quinazoline-1,3-diamine
CID 1881
Sch-79797
CID 4259181
7-Methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467889
Antibacterial agent 27
CID 3010592
(1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine
CID 44279279
7-[(2-Fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 85934126
7-Benzylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 463795
7-(2-Methylpentan-3-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 21758532
7-(Naphthalen-1-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 21783605
7-[(4-Methylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44383301
7-[(3-Fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531723

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide?
The IUPAC name of N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide (CID 11526540) is N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide?
The canonical SMILES for N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide is CC(=O)N(C(C)=O)c1nc(N(C(C)=O)C(C)=O)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide?
The InChIKey is RHIGRXPIVZTMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O4/c1-14(35)33(15(2)36)24-23-19-11-12-32(13-18-7-5-6-8-20(18)26(27,28)29)22(19)10-9-21(23)30-25(31-24)34(16(3)37)17(4)38/h5-12H,13H2,1-4H3.
What are the key properties of N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide?
N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide has a molecular weight of 525.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-(diacetylamino)-7-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-f]quinazolin-1-yl]acetamide is sourced from PubChem (CID 11526540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).