6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid

C19H14Cl2F3N5O2 — CID 69146783

IUPAC6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
SMILESCn1ccc2c3c(N)nc(N)nc3cc(-c3cc(Cl)cc(Cl)c3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H13Cl2N5.C2HF3O2/c1-24-3-2-11-14-13(22-17(21)23-16(14)20)7-12(15(11)24)8-4-9(18)6-10(19)5-8;3-2(4,5)1(6)7/h2-7H,1H3,(H4,20,21,22,23);(H,6,7)
InChIKeyDNZXGVOHQAFLBV-UHFFFAOYSA-N
MW472.25 g/mol
LogP4.89
Rot. Bonds1

About 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid

6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid (PubChem CID 69146783) has the molecular formula C19H14Cl2F3N5O2 and a molecular weight of 472.25 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
PubChem CID69146783
Molecular FormulaC19H14Cl2F3N5O2
Molecular Weight472.25 g/mol
Exact Mass471.05
IUPAC Name6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
SMILESCn1ccc2c3c(N)nc(N)nc3cc(-c3cc(Cl)cc(Cl)c3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C17H13Cl2N5.C2HF3O2/c1-24-3-2-11-14-13(22-17(21)23-16(14)20)7-12(15(11)24)8-4-9(18)6-10(19)5-8;3-2(4,5)1(6)7/h2-7H,1H3,(H4,20,21,22,23);(H,6,7)
InChIKeyDNZXGVOHQAFLBV-UHFFFAOYSA-N
XLogP4.89
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.25
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dimethoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69145564
7-methyl-6-(2-methylphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69147248
6-(4-bromo-2-fluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69146184
6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11383037
1-N,1-N-dibenzyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 21106367
6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11232589
3-[(3-amino-7-methyl-6-thiophen-2-ylpyrrolo[3,2-f]quinazolin-1-yl)amino]propan-1-ol;2,2,2-trifluoroacetic acid
CID 11431267
2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol
CID 11200041
2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]-1,2,2-trifluoroethanol
CID 91463076
3-[3-amino-1-(diethylamino)-7-methylpyrrolo[3,2-f]quinazolin-6-yl]benzenethiol
CID 91393754
1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 21106359
7-(2,6-dichlorophenyl)-4-N-methylquinazoline-2,4-diamine;2,2,2-trifluoroacetic acid
CID 69077338

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid (CID 69146783) is 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid is Cn1ccc2c3c(N)nc(N)nc3cc(-c3cc(Cl)cc(Cl)c3)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is DNZXGVOHQAFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5.C2HF3O2/c1-24-3-2-11-14-13(22-17(21)23-16(14)20)7-12(15(11)24)8-4-9(18)6-10(19)5-8;3-2(4,5)1(6)7/h2-7H,1H3,(H4,20,21,22,23);(H,6,7).
What are the key properties of 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid?
6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 472.25 g/mol, XLogP of 4.89, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69146783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).