4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride

C20H24ClN5O — CID 2972487

IUPAC4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
SMILESCN(C)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-24(2)16-9-7-15(8-10-16)21-20-22-18-6-4-3-5-17(18)19(23-20)25-11-13-26-14-12-25;/h3-10H,11-14H2,1-2H3,(H,21,22,23);1H
InChIKeyYBXAYVCCWJLBQK-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.70
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride

4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride (PubChem CID 2972487) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
PubChem CID2972487
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
SMILESCN(C)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-24(2)16-9-7-15(8-10-16)21-20-22-18-6-4-3-5-17(18)19(23-20)25-11-13-26-14-12-25;/h3-10H,11-14H2,1-2H3,(H,21,22,23);1H
InChIKeyYBXAYVCCWJLBQK-UHFFFAOYSA-N
XLogP3.70
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride (CID 2972487) is 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride is CN(C)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.Cl.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride?
The InChIKey is YBXAYVCCWJLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-24(2)16-9-7-15(8-10-16)21-20-22-18-6-4-3-5-17(18)19(23-20)25-11-13-26-14-12-25;/h3-10H,11-14H2,1-2H3,(H,21,22,23);1H.
What are the key properties of 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride?
4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 2972487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).