6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline

C19H20BrN5O — CID 166605676

IUPAC6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
SMILESCOc1cc(CN2CCN(c3ncc4cc(Br)ccc4n3)CC2)ccn1
InChIInChI=1S/C19H20BrN5O/c1-26-18-10-14(4-5-21-18)13-24-6-8-25(9-7-24)19-22-12-15-11-16(20)2-3-17(15)23-19/h2-5,10-12H,6-9,13H2,1H3
InChIKeyDAFBAMDSUYONBO-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.12
Rot. Bonds4

About 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline

6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline (PubChem CID 166605676) has the molecular formula C19H20BrN5O and a molecular weight of 414.31 g/mol. Its IUPAC name is 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
PubChem CID166605676
Molecular FormulaC19H20BrN5O
Molecular Weight414.31 g/mol
Exact Mass413.09
IUPAC Name6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
SMILESCOc1cc(CN2CCN(c3ncc4cc(Br)ccc4n3)CC2)ccn1
InChIInChI=1S/C19H20BrN5O/c1-26-18-10-14(4-5-21-18)13-24-6-8-25(9-7-24)19-22-12-15-11-16(20)2-3-17(15)23-19/h2-5,10-12H,6-9,13H2,1H3
InChIKeyDAFBAMDSUYONBO-UHFFFAOYSA-N
XLogP3.12
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 171690317
1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
CID 172905670
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 171701507
6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605531
4-[[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 166605362
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 166604747
6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435723
4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine
CID 170707996
6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline
CID 171705386
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 133403794
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605374

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline (CID 166605676) is 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline is COc1cc(CN2CCN(c3ncc4cc(Br)ccc4n3)CC2)ccn1.
What is the InChIKey of 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is DAFBAMDSUYONBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O/c1-26-18-10-14(4-5-21-18)13-24-6-8-25(9-7-24)19-22-12-15-11-16(20)2-3-17(15)23-19/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline?
6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 414.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 166605676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).