4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride

C21H23ClN4 — CID 68738568

IUPAC4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride
SMILESCl.c1ccc2c(c1)CN(c1nc(N3CCCCC3)nc3ccccc13)C2
InChIInChI=1S/C21H22N4.ClH/c1-6-12-24(13-7-1)21-22-19-11-5-4-10-18(19)20(23-21)25-14-16-8-2-3-9-17(16)15-25;/h2-5,8-11H,1,6-7,12-15H2;1H
InChIKeyDSLGCYBZDIPPRV-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.56
Rot. Bonds2

About 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride

4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride (PubChem CID 68738568) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride
PubChem CID68738568
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride
SMILESCl.c1ccc2c(c1)CN(c1nc(N3CCCCC3)nc3ccccc13)C2
InChIInChI=1S/C21H22N4.ClH/c1-6-12-24(13-7-1)21-22-19-11-5-4-10-18(19)20(23-21)25-14-16-8-2-3-9-17(16)15-25;/h2-5,8-11H,1,6-7,12-15H2;1H
InChIKeyDSLGCYBZDIPPRV-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
CID 68722852
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
CID 25144879
4-chloro-2-piperidin-1-ylquinazoline
CID 15692068
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine
CID 80902799
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
4-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]morpholine;hydrochloride
CID 6459337
4-(azepan-1-yl)quinazoline
CID 5207391
4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline
CID 146106523

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride (CID 68738568) is 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride is Cl.c1ccc2c(c1)CN(c1nc(N3CCCCC3)nc3ccccc13)C2.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride?
The InChIKey is DSLGCYBZDIPPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4.ClH/c1-6-12-24(13-7-1)21-22-19-11-5-4-10-18(19)20(23-21)25-14-16-8-2-3-9-17(16)15-25;/h2-5,8-11H,1,6-7,12-15H2;1H.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride?
4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride has a molecular weight of 366.90 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-2-piperidin-1-ylquinazoline;hydrochloride is sourced from PubChem (CID 68738568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).