N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride

C16H24ClN3 — CID 18590526

IUPACN,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
SMILESCC(C)CN(CC(C)C)c1ncnc2ccccc12.Cl
InChIInChI=1S/C16H23N3.ClH/c1-12(2)9-19(10-13(3)4)16-14-7-5-6-8-15(14)17-11-18-16;/h5-8,11-13H,9-10H2,1-4H3;1H
InChIKeyACSMELIYGDWYMK-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.17
Rot. Bonds5

About N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride

N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride (PubChem CID 18590526) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
PubChem CID18590526
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
SMILESCC(C)CN(CC(C)C)c1ncnc2ccccc12.Cl
InChIInChI=1S/C16H23N3.ClH/c1-12(2)9-19(10-13(3)4)16-14-7-5-6-8-15(14)17-11-18-16;/h5-8,11-13H,9-10H2,1-4H3;1H
InChIKeyACSMELIYGDWYMK-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride (CID 18590526) is N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride is CC(C)CN(CC(C)C)c1ncnc2ccccc12.Cl.
What is the InChIKey of N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride?
The InChIKey is ACSMELIYGDWYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.ClH/c1-12(2)9-19(10-13(3)4)16-14-7-5-6-8-15(14)17-11-18-16;/h5-8,11-13H,9-10H2,1-4H3;1H.
What are the key properties of N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride?
N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 18590526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).