N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride

C21H24Cl2N4 — CID 68723199

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
SMILESC[C@@H](Nc1nc(N2CCCCC2)nc2ccccc12)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C21H23ClN4.ClH/c1-15(16-9-11-17(22)12-10-16)23-20-18-7-3-4-8-19(18)24-21(25-20)26-13-5-2-6-14-26;/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24,25);1H/t15-;/m1./s1
InChIKeySNDCHCSDSHTGLC-XFULWGLBSA-N
MW403.36 g/mol
LogP5.87
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride (PubChem CID 68723199) has the molecular formula C21H24Cl2N4 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
PubChem CID68723199
Molecular FormulaC21H24Cl2N4
Molecular Weight403.36 g/mol
Exact Mass402.14
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
SMILESC[C@@H](Nc1nc(N2CCCCC2)nc2ccccc12)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C21H23ClN4.ClH/c1-15(16-9-11-17(22)12-10-16)23-20-18-7-3-4-8-19(18)24-21(25-20)26-13-5-2-6-14-26;/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24,25);1H/t15-;/m1./s1
InChIKeySNDCHCSDSHTGLC-XFULWGLBSA-N
XLogP5.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.36
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride (CID 68723199) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride is C[C@@H](Nc1nc(N2CCCCC2)nc2ccccc12)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The InChIKey is SNDCHCSDSHTGLC-XFULWGLBSA-N. The full InChI is InChI=1S/C21H23ClN4.ClH/c1-15(16-9-11-17(22)12-10-16)23-20-18-7-3-4-8-19(18)24-21(25-20)26-13-5-2-6-14-26;/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24,25);1H/t15-;/m1./s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride has a molecular weight of 403.36 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 68723199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).