2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide

C24H22FN5O2 — CID 143244744

IUPAC2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1.Oc1ccccc1-c1nc(N2CCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H16FN3O.C6H6N2O/c19-12-7-8-15-14(11-12)18(22-9-3-4-10-22)21-17(20-15)13-5-1-2-6-16(13)23;7-6(9)5-1-3-8-4-2-5/h1-2,5-8,11,23H,3-4,9-10H2;1-4H,(H2,7,9)
InChIKeyMTVXKHMFTZWXDO-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.92
Rot. Bonds3

About 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide

2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide (PubChem CID 143244744) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide
PubChem CID143244744
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1.Oc1ccccc1-c1nc(N2CCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H16FN3O.C6H6N2O/c19-12-7-8-15-14(11-12)18(22-9-3-4-10-22)21-17(20-15)13-5-1-2-6-16(13)23;7-6(9)5-1-3-8-4-2-5/h1-2,5-8,11,23H,3-4,9-10H2;1-4H,(H2,7,9)
InChIKeyMTVXKHMFTZWXDO-UHFFFAOYSA-N
XLogP3.92
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
tert-butyl-[1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 136658391
(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
1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 135984599
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
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
oxocan-2-ylmethyl N-[1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 143198649
(2R)-1-[4-[6-fluoro-2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
CID 157442409
bis([(3S)-oxolan-3-yl] N-[(3R)-1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamate);hydrochloride
CID 160664254
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
benzamide;pyridine-4-carboxamide
CID 175267661

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide?
The IUPAC name of 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide (CID 143244744) is 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide.
What is the SMILES notation for 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide?
The canonical SMILES for 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide is NC(=O)c1ccncc1.Oc1ccccc1-c1nc(N2CCCC2)c2cc(F)ccc2n1.
What is the InChIKey of 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide?
The InChIKey is MTVXKHMFTZWXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O.C6H6N2O/c19-12-7-8-15-14(11-12)18(22-9-3-4-10-22)21-17(20-15)13-5-1-2-6-16(13)23;7-6(9)5-1-3-8-4-2-5/h1-2,5-8,11,23H,3-4,9-10H2;1-4H,(H2,7,9).
What are the key properties of 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide?
2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl)phenol;pyridine-4-carboxamide is sourced from PubChem (CID 143244744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).