2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol

C19H16F3N5O — CID 11200041

IUPAC2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol
SMILESNc1nc(N)c2c(cc(-c3ccccc3C(F)(F)F)c3c2ccn3CCO)n1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)13-4-2-1-3-10(13)12-9-14-15(17(23)26-18(24)25-14)11-5-6-27(7-8-28)16(11)12/h1-6,9,28H,7-8H2,(H4,23,24,25,26)
InChIKeyKMDMJYLYWNMDFL-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.43
Rot. Bonds3

About 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol

2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol (PubChem CID 11200041) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol.

Molecular Properties

Compound Name2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol
PubChem CID11200041
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol
SMILESNc1nc(N)c2c(cc(-c3ccccc3C(F)(F)F)c3c2ccn3CCO)n1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)13-4-2-1-3-10(13)12-9-14-15(17(23)26-18(24)25-14)11-5-6-27(7-8-28)16(11)12/h1-6,9,28H,7-8H2,(H4,23,24,25,26)
InChIKeyKMDMJYLYWNMDFL-UHFFFAOYSA-N
XLogP3.43
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]-1,2,2-trifluoroethanol
CID 91463076
1-N,1-N-diethyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11156779
[[4-[2-[3-amino-1-dimethylarsanyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethoxymethyl]phenyl]-difluoromethyl]phosphonic acid
CID 87724263
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
7-methyl-6-(2-methylphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69147248
6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69146783
6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11383037
6-(2,6-dimethoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69145564
2-[4-amino-N-(2-hydroxyethyl)-3-[2-(trifluoromethyl)phenyl]anilino]ethanol
CID 18371918
7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline
CID 154455736
6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 23311136
7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531949

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol?
The IUPAC name of 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol (CID 11200041) is 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol.
What is the SMILES notation for 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol?
The canonical SMILES for 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol is Nc1nc(N)c2c(cc(-c3ccccc3C(F)(F)F)c3c2ccn3CCO)n1.
What is the InChIKey of 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol?
The InChIKey is KMDMJYLYWNMDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c20-19(21,22)13-4-2-1-3-10(13)12-9-14-15(17(23)26-18(24)25-14)11-5-6-27(7-8-28)16(11)12/h1-6,9,28H,7-8H2,(H4,23,24,25,26).
What are the key properties of 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol?
2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol has a molecular weight of 387.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-diamino-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazolin-7-yl]ethanol is sourced from PubChem (CID 11200041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).