6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one

C18H18FN5O — CID 162498374

IUPAC6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESCN1CC[C@H](n2c(Nc3cccnc3)nc3ccc(F)cc3c2=O)C1
InChIInChI=1S/C18H18FN5O/c1-23-8-6-14(11-23)24-17(25)15-9-12(19)4-5-16(15)22-18(24)21-13-3-2-7-20-10-13/h2-5,7,9-10,14H,6,8,11H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyYZCHCPVTEQLGOH-AWEZNQCLSA-N
MW339.37 g/mol
LogP2.55
Rot. Bonds3

About 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one

6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one (PubChem CID 162498374) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
PubChem CID162498374
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESCN1CC[C@H](n2c(Nc3cccnc3)nc3ccc(F)cc3c2=O)C1
InChIInChI=1S/C18H18FN5O/c1-23-8-6-14(11-23)24-17(25)15-9-12(19)4-5-16(15)22-18(24)21-13-3-2-7-20-10-13/h2-5,7,9-10,14H,6,8,11H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyYZCHCPVTEQLGOH-AWEZNQCLSA-N
XLogP2.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one with MolForge

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Related Compounds

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CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
AQ-RA 741
CID 129989
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
7-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-2,3-dihydro-2,2-dimethyl-1-[(1R)-1-phenylethyl]-4(1H)-quinazolinone
CID 91933875
2,2-Dimethyl-7-(2-Oxidanylidene-3~{h}-Imidazo[4,5-B]pyridin-1-Yl)-1-(Phenylmethyl)-3~{h}-Quinazolin-4-One
CID 118409668
AF-DX-384
CID 119357
Src-820 R
CID 63120
2-(Pyridin-4-yl)quinazolin-4-ol
CID 135412668
Propizepine
CID 112029
N11-Ethyl-N5-methyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 453351

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one (CID 162498374) is 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one is CN1CC[C@H](n2c(Nc3cccnc3)nc3ccc(F)cc3c2=O)C1.
What is the InChIKey of 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one?
The InChIKey is YZCHCPVTEQLGOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-23-8-6-14(11-23)24-17(25)15-9-12(19)4-5-16(15)22-18(24)21-13-3-2-7-20-10-13/h2-5,7,9-10,14H,6,8,11H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one?
6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one has a molecular weight of 339.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one is sourced from PubChem (CID 162498374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).