7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one

C18H18FN3O2 — CID 134144905

IUPAC7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one
SMILESCOc1ccc(CCNc2nc3cc(F)ccc3c(=O)n2C)cc1
InChIInChI=1S/C18H18FN3O2/c1-22-17(23)15-8-5-13(19)11-16(15)21-18(22)20-10-9-12-3-6-14(24-2)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyJIWBBAGOQPCCDE-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.74
Rot. Bonds5

About 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one

7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one (PubChem CID 134144905) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one
PubChem CID134144905
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one
SMILESCOc1ccc(CCNc2nc3cc(F)ccc3c(=O)n2C)cc1
InChIInChI=1S/C18H18FN3O2/c1-22-17(23)15-8-5-13(19)11-16(15)21-18(22)20-10-9-12-3-6-14(24-2)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyJIWBBAGOQPCCDE-UHFFFAOYSA-N
XLogP2.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
2-({2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-6-methoxy-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658104
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-(4-methoxyanilino)-4(3H)-quinazolinone
CID 135444387
3-[4-(2-fluorophenoxy)butyl]-4(3H)-quinazolinone
CID 2216097
Sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide
CID 3773368
3-[2-(4-Ethoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 4809024
3-[2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one
CID 7628255
T5567366
CID 7874936
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3H-quinazolin-4-one
CID 135517773
2-(butylcarbamoylamino)-N-(4-methoxyphenyl)benzamide
CID 1864779
3-Benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2887831

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one?
The IUPAC name of 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one (CID 134144905) is 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one?
The canonical SMILES for 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one is COc1ccc(CCNc2nc3cc(F)ccc3c(=O)n2C)cc1.
What is the InChIKey of 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one?
The InChIKey is JIWBBAGOQPCCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-22-17(23)15-8-5-13(19)11-16(15)21-18(22)20-10-9-12-3-6-14(24-2)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one?
7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one has a molecular weight of 327.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one is sourced from PubChem (CID 134144905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).