2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline

C19H26N4 — CID 86928124

IUPAC2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline
SMILESCc1nc(CN2CCN(C3CCCC3)CC2)nc2ccccc12
InChIInChI=1S/C19H26N4/c1-15-17-8-4-5-9-18(17)21-19(20-15)14-22-10-12-23(13-11-22)16-6-2-3-7-16/h4-5,8-9,16H,2-3,6-7,10-14H2,1H3
InChIKeyFRZHJXKPALKBQA-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.00
Rot. Bonds3

About 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline

2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline (PubChem CID 86928124) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline.

Molecular Properties

Compound Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline
PubChem CID86928124
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline
SMILESCc1nc(CN2CCN(C3CCCC3)CC2)nc2ccccc12
InChIInChI=1S/C19H26N4/c1-15-17-8-4-5-9-18(17)21-19(20-15)14-22-10-12-23(13-11-22)16-6-2-3-7-16/h4-5,8-9,16H,2-3,6-7,10-14H2,1H3
InChIKeyFRZHJXKPALKBQA-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
CID 75434455
methyl (2S)-2-[[2-[(4-cyclopentylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]-3-methylbutanoate
CID 58809097
4-[(4-methylquinazolin-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 75386144
2,2-dimethyl-4-[(4-methylquinazolin-2-yl)methyl]morpholine
CID 37403956
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
(2R)-2-hydroxy-2-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]acetamide
CID 129490272
2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177243
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177157
1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 71932952
2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
CID 87017628
4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
CID 142905223
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512788

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline?
The IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline (CID 86928124) is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline.
What is the SMILES notation for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline?
The canonical SMILES for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline is Cc1nc(CN2CCN(C3CCCC3)CC2)nc2ccccc12.
What is the InChIKey of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline?
The InChIKey is FRZHJXKPALKBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-17-8-4-5-9-18(17)21-19(20-15)14-22-10-12-23(13-11-22)16-6-2-3-7-16/h4-5,8-9,16H,2-3,6-7,10-14H2,1H3.
What are the key properties of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline?
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline has a molecular weight of 310.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline is sourced from PubChem (CID 86928124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).