6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline

C22H21N5O — CID 126894256

IUPAC6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline
SMILESCOc1ccc2nccc(N3CCN(c4ccc5ncncc5c4)CC3)c2c1
InChIInChI=1S/C22H21N5O/c1-28-18-3-5-21-19(13-18)22(6-7-24-21)27-10-8-26(9-11-27)17-2-4-20-16(12-17)14-23-15-25-20/h2-7,12-15H,8-11H2,1H3
InChIKeyDQRXCHFNVMAAFQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.51
Rot. Bonds3

About 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline

6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline (PubChem CID 126894256) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline
PubChem CID126894256
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline
SMILESCOc1ccc2nccc(N3CCN(c4ccc5ncncc5c4)CC3)c2c1
InChIInChI=1S/C22H21N5O/c1-28-18-3-5-21-19(13-18)22(6-7-24-21)27-10-8-26(9-11-27)17-2-4-20-16(12-17)14-23-15-25-20/h2-7,12-15H,8-11H2,1H3
InChIKeyDQRXCHFNVMAAFQ-UHFFFAOYSA-N
XLogP3.51
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline
CID 126894311
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288
6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894515
6-methyl-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline
CID 133467548
1-[1-[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945708
4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline
CID 154575981
6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
CID 87020711
1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
CID 126894549
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
2-[[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863495
(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894138

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline (CID 126894256) is 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline is COc1ccc2nccc(N3CCN(c4ccc5ncncc5c4)CC3)c2c1.
What is the InChIKey of 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline?
The InChIKey is DQRXCHFNVMAAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-28-18-3-5-21-19(13-18)22(6-7-24-21)27-10-8-26(9-11-27)17-2-4-20-16(12-17)14-23-15-25-20/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline?
6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline has a molecular weight of 371.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).