N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride

C18H20ClN3 — CID 2789485

IUPACN,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride
SMILESCCN(CC)c1nc(-c2ccccc2)nc2ccccc12.Cl
InChIInChI=1S/C18H19N3.ClH/c1-3-21(4-2)18-15-12-8-9-13-16(15)19-17(20-18)14-10-6-5-7-11-14;/h5-13H,3-4H2,1-2H3;1H
InChIKeyUCDVRLYVPHGCTR-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.56
Rot. Bonds4

About N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride

N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride (PubChem CID 2789485) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride
PubChem CID2789485
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC NameN,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride
SMILESCCN(CC)c1nc(-c2ccccc2)nc2ccccc12.Cl
InChIInChI=1S/C18H19N3.ClH/c1-3-21(4-2)18-15-12-8-9-13-16(15)19-17(20-18)14-10-6-5-7-11-14;/h5-13H,3-4H2,1-2H3;1H
InChIKeyUCDVRLYVPHGCTR-UHFFFAOYSA-N
XLogP4.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride?
The IUPAC name of N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride (CID 2789485) is N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride is CCN(CC)c1nc(-c2ccccc2)nc2ccccc12.Cl.
What is the InChIKey of N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride?
The InChIKey is UCDVRLYVPHGCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.ClH/c1-3-21(4-2)18-15-12-8-9-13-16(15)19-17(20-18)14-10-6-5-7-11-14;/h5-13H,3-4H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride?
N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2789485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).