N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine

C22H25BrN4 — CID 58830053

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine
SMILESBrc1ccc2nc(NCCC3CCN(Cc4ccccc4)CC3)ncc2c1
InChIInChI=1S/C22H25BrN4/c23-20-6-7-21-19(14-20)15-25-22(26-21)24-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,24,25,26)
InChIKeyFNVJNDUBIKOJPJ-UHFFFAOYSA-N
MW425.37 g/mol
LogP5.11
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine (PubChem CID 58830053) has the molecular formula C22H25BrN4 and a molecular weight of 425.37 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine
PubChem CID58830053
Molecular FormulaC22H25BrN4
Molecular Weight425.37 g/mol
Exact Mass424.13
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine
SMILESBrc1ccc2nc(NCCC3CCN(Cc4ccccc4)CC3)ncc2c1
InChIInChI=1S/C22H25BrN4/c23-20-6-7-21-19(14-20)15-25-22(26-21)24-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,24,25,26)
InChIKeyFNVJNDUBIKOJPJ-UHFFFAOYSA-N
XLogP5.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.37
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]quinazolin-2-amine
CID 58829493
N-(2-cyclobutylethyl)quinazolin-2-amine
CID 114789293
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
CID 54330265
3-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 11646798
2-(4-benzylpiperidin-1-yl)-6-bromoquinoline
CID 25139392
6-bromo-N-cyclopentylquinazolin-2-amine
CID 118048975
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
CID 114789119

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine (CID 58830053) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine is Brc1ccc2nc(NCCC3CCN(Cc4ccccc4)CC3)ncc2c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine?
The InChIKey is FNVJNDUBIKOJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4/c23-20-6-7-21-19(14-20)15-25-22(26-21)24-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,24,25,26).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine has a molecular weight of 425.37 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromoquinazolin-2-amine is sourced from PubChem (CID 58830053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).