N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

C19H22N4O2 — CID 155818532

IUPACN-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(N)c3)c2cc1OC
InChIInChI=1S/C19H22N4O2/c1-11(13-6-5-7-14(20)8-13)21-19-15-9-17(24-3)18(25-4)10-16(15)22-12(2)23-19/h5-11H,20H2,1-4H3,(H,21,22,23)/t11-/m1/s1
InChIKeyMNDALSIIIRYSTC-LLVKDONJSA-N
MW338.41 g/mol
LogP3.71
Rot. Bonds5

About N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 155818532) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID155818532
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(N)c3)c2cc1OC
InChIInChI=1S/C19H22N4O2/c1-11(13-6-5-7-14(20)8-13)21-19-15-9-17(24-3)18(25-4)10-16(15)22-12(2)23-19/h5-11H,20H2,1-4H3,(H,21,22,23)/t11-/m1/s1
InChIKeyMNDALSIIIRYSTC-LLVKDONJSA-N
XLogP3.71
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 155818532) is N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc2nc(C)nc(N[C@H](C)c3cccc(N)c3)c2cc1OC.
What is the InChIKey of N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is MNDALSIIIRYSTC-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11(13-6-5-7-14(20)8-13)21-19-15-9-17(24-3)18(25-4)10-16(15)22-12(2)23-19/h5-11H,20H2,1-4H3,(H,21,22,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 338.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 155818532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).