2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol

C19H19FN3O+ — CID 143198381

IUPAC2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol
SMILESC[C@@H]1CCN(c2[nH+]c(-c3ccccc3O)nc3ccc(F)cc23)C1
InChIInChI=1S/C19H18FN3O/c1-12-8-9-23(11-12)19-15-10-13(20)6-7-16(15)21-18(22-19)14-4-2-3-5-17(14)24/h2-7,10,12,24H,8-9,11H2,1H3/p+1/t12-/m1/s1
InChIKeyLHZGGHXEEFYANI-GFCCVEGCSA-O
MW324.38 g/mol
LogP3.41
Rot. Bonds2

About 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol

2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol (PubChem CID 143198381) has the molecular formula C19H19FN3O+ and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol.

Molecular Properties

Compound Name2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol
PubChem CID143198381
Molecular FormulaC19H19FN3O+
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol
SMILESC[C@@H]1CCN(c2[nH+]c(-c3ccccc3O)nc3ccc(F)cc23)C1
InChIInChI=1S/C19H18FN3O/c1-12-8-9-23(11-12)19-15-10-13(20)6-7-16(15)21-18(22-19)14-4-2-3-5-17(14)24/h2-7,10,12,24H,8-9,11H2,1H3/p+1/t12-/m1/s1
InChIKeyLHZGGHXEEFYANI-GFCCVEGCSA-O
XLogP3.41
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 136658391
2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 710985
1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 135984599
2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid
CID 110434146
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol;N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 160880378
bis([(3S)-oxolan-3-yl] N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate);hydrochloride
CID 160664254
2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine
CID 143244887
2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide
CID 143244744
2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;2-methylpropyl carbamate
CID 143465403
2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
CID 61226990
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol?
The IUPAC name of 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol (CID 143198381) is 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol.
What is the SMILES notation for 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol?
The canonical SMILES for 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol is C[C@@H]1CCN(c2[nH+]c(-c3ccccc3O)nc3ccc(F)cc23)C1.
What is the InChIKey of 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol?
The InChIKey is LHZGGHXEEFYANI-GFCCVEGCSA-O. The full InChI is InChI=1S/C19H18FN3O/c1-12-8-9-23(11-12)19-15-10-13(20)6-7-16(15)21-18(22-19)14-4-2-3-5-17(14)24/h2-7,10,12,24H,8-9,11H2,1H3/p+1/t12-/m1/s1.
What are the key properties of 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol?
2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol has a molecular weight of 324.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-[(3R)-3-methylpyrrolidin-1-yl]quinazolin-3-ium-2-yl]phenol is sourced from PubChem (CID 143198381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).