1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide

C20H19FN4O2 — CID 135984599

IUPAC1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(-c2ccccc2O)nc2ccc(F)cc12
InChIInChI=1S/C20H19FN4O2/c1-22-20(27)16-6-4-10-25(16)19-14-11-12(21)8-9-15(14)23-18(24-19)13-5-2-3-7-17(13)26/h2-3,5,7-9,11,16,26H,4,6,10H2,1H3,(H,22,27)
InChIKeyMOWSHTCMEYVLKA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.86
Rot. Bonds3

About 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide

1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 135984599) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID135984599
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(-c2ccccc2O)nc2ccc(F)cc12
InChIInChI=1S/C20H19FN4O2/c1-22-20(27)16-6-4-10-25(16)19-14-11-12(21)8-9-15(14)23-18(24-19)13-5-2-3-7-17(13)26/h2-3,5,7-9,11,16,26H,4,6,10H2,1H3,(H,22,27)
InChIKeyMOWSHTCMEYVLKA-UHFFFAOYSA-N
XLogP2.86
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
tert-butyl-[1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 136658391
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
bis((2R)-1-[4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one);hydrochloride
CID 158205493
(2R)-1-[4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;molecular hydrogen
CID 161039660
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
6-chloro-2-(2-fluorophenyl)-4-(2-methylpyrrolidin-1-yl)quinazoline
CID 59213754
bis([(3S)-oxolan-3-yl] N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate);hydrochloride
CID 160664254
N-[(2R)-4-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-4-iminobutan-2-yl]cyclopropanecarboxamide
CID 174533071
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 115416730

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 135984599) is 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nc(-c2ccccc2O)nc2ccc(F)cc12.
What is the InChIKey of 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MOWSHTCMEYVLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-22-20(27)16-6-4-10-25(16)19-14-11-12(21)8-9-15(14)23-18(24-19)13-5-2-3-7-17(13)26/h2-3,5,7-9,11,16,26H,4,6,10H2,1H3,(H,22,27).
What are the key properties of 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide?
1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 135984599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).