2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone

C20H26FN5O2 — CID 133475633

IUPAC2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1cc2c(N3CCN(CC(=O)N4CCCCC4)CC3)ncnc2cc1F
InChIInChI=1S/C20H26FN5O2/c1-28-18-11-15-17(12-16(18)21)22-14-23-20(15)26-9-7-24(8-10-26)13-19(27)25-5-3-2-4-6-25/h11-12,14H,2-10,13H2,1H3
InChIKeyZZLUHJPRKIXIAC-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.91
Rot. Bonds4

About 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 133475633) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID133475633
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1cc2c(N3CCN(CC(=O)N4CCCCC4)CC3)ncnc2cc1F
InChIInChI=1S/C20H26FN5O2/c1-28-18-11-15-17(12-16(18)21)22-14-23-20(15)26-9-7-24(8-10-26)13-19(27)25-5-3-2-4-6-25/h11-12,14H,2-10,13H2,1H3
InChIKeyZZLUHJPRKIXIAC-UHFFFAOYSA-N
XLogP1.91
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 133475566
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56816091
cyclohexyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 72722510
6,7-dimethoxy-4-[4-[2-(sulfamoylamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride
CID 166693156
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
6,7-dimethoxy-4-[4-[2-(sulfinatoamino)acetyl]-1,4-diazepan-1-yl]quinazoline;hydrochloride
CID 166693152
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 133475633) is 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone is COc1cc2c(N3CCN(CC(=O)N4CCCCC4)CC3)ncnc2cc1F.
What is the InChIKey of 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ZZLUHJPRKIXIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-28-18-11-15-17(12-16(18)21)22-14-23-20(15)26-9-7-24(8-10-26)13-19(27)25-5-3-2-4-6-25/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 387.46 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 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]-1-piperidin-1-ylethanone is sourced from PubChem (CID 133475633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).