6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one

C19H14FN5O2 — CID 162498509

IUPAC6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESCOc1cncc(-n2c(Nc3cccnc3)nc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C19H14FN5O2/c1-27-15-8-14(10-22-11-15)25-18(26)16-7-12(20)4-5-17(16)24-19(25)23-13-3-2-6-21-9-13/h2-11H,1H3,(H,23,24)
InChIKeyNHUDYNHKUJSLJQ-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.07
Rot. Bonds4

About 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one

6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one (PubChem CID 162498509) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
PubChem CID162498509
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESCOc1cncc(-n2c(Nc3cccnc3)nc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C19H14FN5O2/c1-27-15-8-14(10-22-11-15)25-18(26)16-7-12(20)4-5-17(16)24-19(25)23-13-3-2-6-21-9-13/h2-11H,1H3,(H,23,24)
InChIKeyNHUDYNHKUJSLJQ-UHFFFAOYSA-N
XLogP3.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
CID 162498372
2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
CID 156896984
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498374
6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498463
3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
CID 166807393
6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one
CID 162498369
3-(3-fluorophenyl)-6-iodo-2-[(4-methoxyphenyl)methylamino]quinazolin-4-one
CID 67982070
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 2940202
2-[2-chloro-4-(hydroxymethyl)anilino]-6-fluoro-3-phenylquinazolin-4-one
CID 162495443

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one?
The IUPAC name of 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one (CID 162498509) is 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one is COc1cncc(-n2c(Nc3cccnc3)nc3ccc(F)cc3c2=O)c1.
What is the InChIKey of 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one?
The InChIKey is NHUDYNHKUJSLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c1-27-15-8-14(10-22-11-15)25-18(26)16-7-12(20)4-5-17(16)24-19(25)23-13-3-2-6-21-9-13/h2-11H,1H3,(H,23,24).
What are the key properties of 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one?
6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one has a molecular weight of 363.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one is sourced from PubChem (CID 162498509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).