N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride

C25H27ClN4 — CID 68781551

IUPACN-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
SMILESCC(Nc1nc(N2CCCCC2)nc2ccccc12)c1cccc2ccccc12.Cl
InChIInChI=1S/C25H26N4.ClH/c1-18(20-14-9-11-19-10-3-4-12-21(19)20)26-24-22-13-5-6-15-23(22)27-25(28-24)29-16-7-2-8-17-29;/h3-6,9-15,18H,2,7-8,16-17H2,1H3,(H,26,27,28);1H
InChIKeyUBAWCZKMVPNDNU-UHFFFAOYSA-N
MW418.97 g/mol
LogP6.37
Rot. Bonds4

About N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride

N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride (PubChem CID 68781551) has the molecular formula C25H27ClN4 and a molecular weight of 418.97 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
PubChem CID68781551
Molecular FormulaC25H27ClN4
Molecular Weight418.97 g/mol
Exact Mass418.19
IUPAC NameN-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
SMILESCC(Nc1nc(N2CCCCC2)nc2ccccc12)c1cccc2ccccc12.Cl
InChIInChI=1S/C25H26N4.ClH/c1-18(20-14-9-11-19-10-3-4-12-21(19)20)26-24-22-13-5-6-15-23(22)27-25(28-24)29-16-7-2-8-17-29;/h3-6,9-15,18H,2,7-8,16-17H2,1H3,(H,26,27,28);1H
InChIKeyUBAWCZKMVPNDNU-UHFFFAOYSA-N
XLogP6.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride (CID 68781551) is N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride is CC(Nc1nc(N2CCCCC2)nc2ccccc12)c1cccc2ccccc12.Cl.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The InChIKey is UBAWCZKMVPNDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4.ClH/c1-18(20-14-9-11-19-10-3-4-12-21(19)20)26-24-22-13-5-6-15-23(22)27-25(28-24)29-16-7-2-8-17-29;/h3-6,9-15,18H,2,7-8,16-17H2,1H3,(H,26,27,28);1H.
What are the key properties of N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride has a molecular weight of 418.97 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 68781551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).