[4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C18H22FN5O3 — CID 66546959

IUPAC[4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1cc2c(N)nc(N3CCN(C(=O)C4CCCO4)CC3)nc2cc1F
InChIInChI=1S/C18H22FN5O3/c1-26-15-9-11-13(10-12(15)19)21-18(22-16(11)20)24-6-4-23(5-7-24)17(25)14-3-2-8-27-14/h9-10,14H,2-8H2,1H3,(H2,20,21,22)
InChIKeyILIOYDUUJGVXPS-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.19
Rot. Bonds3

About [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 66546959) has the molecular formula C18H22FN5O3 and a molecular weight of 375.40 g/mol. Its IUPAC name is [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID66546959
Molecular FormulaC18H22FN5O3
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name[4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1cc2c(N)nc(N3CCN(C(=O)C4CCCO4)CC3)nc2cc1F
InChIInChI=1S/C18H22FN5O3/c1-26-15-9-11-13(10-12(15)19)21-18(22-16(11)20)24-6-4-23(5-7-24)17(25)14-3-2-8-27-14/h9-10,14H,2-8H2,1H3,(H2,20,21,22)
InChIKeyILIOYDUUJGVXPS-UHFFFAOYSA-N
XLogP1.19
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrobromide;hydrochloride
CID 140517129
[4-(6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 15818184
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(5S)-5-methyloxolan-2-yl]methanone
CID 72941989
[4-(4-amino-6,7-dimethoxyquinazolin-3-ium-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone chloride
CID 135958608
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 6604102
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;methane
CID 143009855
[4-[4-(dideuterioamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(3,3,4,4,5,5-hexadeuteriooxolan-2-yl)methanone
CID 59662879
[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 82533904
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 3061445
[4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 18470634
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride
CID 15942777
bis([4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone);methanesulfonic acid
CID 173083883

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 66546959) is [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is COc1cc2c(N)nc(N3CCN(C(=O)C4CCCO4)CC3)nc2cc1F.
What is the InChIKey of [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ILIOYDUUJGVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3/c1-26-15-9-11-13(10-12(15)19)21-18(22-16(11)20)24-6-4-23(5-7-24)17(25)14-3-2-8-27-14/h9-10,14H,2-8H2,1H3,(H2,20,21,22).
What are the key properties of [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 375.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-7-fluoro-6-methoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 66546959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).