2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine

C19H22N4O — CID 3233363

IUPAC2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1nc(-c2ccc(N(C)C)cc2)nc2ccccc12
InChIInChI=1S/C19H22N4O/c1-23(2)15-10-8-14(9-11-15)18-21-17-7-5-4-6-16(17)19(22-18)20-12-13-24-3/h4-11H,12-13H2,1-3H3,(H,20,21,22)
InChIKeyCGDIWFVZRLJVCB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.42
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine

2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine (PubChem CID 3233363) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine
PubChem CID3233363
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine
SMILESCOCCNc1nc(-c2ccc(N(C)C)cc2)nc2ccccc12
InChIInChI=1S/C19H22N4O/c1-23(2)15-10-8-14(9-11-15)18-21-17-7-5-4-6-16(17)19(22-18)20-12-13-24-3/h4-11H,12-13H2,1-3H3,(H,20,21,22)
InChIKeyCGDIWFVZRLJVCB-UHFFFAOYSA-N
XLogP3.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Gdc-0349
CID 59239165
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
4-Anilinoquinazoline
CID 324081
N-Benzylquinazolin-4-amine
CID 616573
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
N-Cyclohexylquinazolin-4-amine
CID 13231190

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine (CID 3233363) is 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine is COCCNc1nc(-c2ccc(N(C)C)cc2)nc2ccccc12.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine?
The InChIKey is CGDIWFVZRLJVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23(2)15-10-8-14(9-11-15)18-21-17-7-5-4-6-16(17)19(22-18)20-12-13-24-3/h4-11H,12-13H2,1-3H3,(H,20,21,22).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine?
2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine is sourced from PubChem (CID 3233363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).