2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C21H21F2N5O2 — CID 133475566

IUPAC2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc2c(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ncnc2cc1F
InChIInChI=1S/C21H21F2N5O2/c1-30-19-10-16-18(11-17(19)23)24-13-25-21(16)28-8-6-27(7-9-28)12-20(29)26-15-4-2-14(22)3-5-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,26,29)
InChIKeyGIAYVJQWXDMSCW-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.68
Rot. Bonds5

About 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 133475566) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID133475566
Molecular FormulaC21H21F2N5O2
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Name2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc2c(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ncnc2cc1F
InChIInChI=1S/C21H21F2N5O2/c1-30-19-10-16-18(11-17(19)23)24-13-25-21(16)28-8-6-27(7-9-28)12-20(29)26-15-4-2-14(22)3-5-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,26,29)
InChIKeyGIAYVJQWXDMSCW-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133475633
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019465
4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 22707478
N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769
N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine
CID 126500849
N-(4-butoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707356
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide
CID 53140564

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 133475566) is 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is COc1cc2c(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ncnc2cc1F.
What is the InChIKey of 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is GIAYVJQWXDMSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c1-30-19-10-16-18(11-17(19)23)24-13-25-21(16)28-8-6-27(7-9-28)12-20(29)26-15-4-2-14(22)3-5-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,26,29).
What are the key properties of 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 413.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133475566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).