N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

C20H24N4O2 — CID 174181337

IUPACN-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cc(C)cc(N)c3)c2cc1OC
InChIInChI=1S/C20H24N4O2/c1-11-6-14(8-15(21)7-11)12(2)22-20-16-9-18(25-4)19(26-5)10-17(16)23-13(3)24-20/h6-10,12H,21H2,1-5H3,(H,22,23,24)/t12-/m1/s1
InChIKeyDISMYKDDOQYSQP-GFCCVEGCSA-N
MW352.44 g/mol
LogP4.02
Rot. Bonds5

About N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 174181337) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID174181337
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cc(C)cc(N)c3)c2cc1OC
InChIInChI=1S/C20H24N4O2/c1-11-6-14(8-15(21)7-11)12(2)22-20-16-9-18(25-4)19(26-5)10-17(16)23-13(3)24-20/h6-10,12H,21H2,1-5H3,(H,22,23,24)/t12-/m1/s1
InChIKeyDISMYKDDOQYSQP-GFCCVEGCSA-N
XLogP4.02
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.02
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-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 174181337) is N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc2nc(C)nc(N[C@H](C)c3cc(C)cc(N)c3)c2cc1OC.
What is the InChIKey of N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is DISMYKDDOQYSQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-11-6-14(8-15(21)7-11)12(2)22-20-16-9-18(25-4)19(26-5)10-17(16)23-13(3)24-20/h6-10,12H,21H2,1-5H3,(H,22,23,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 4.02, 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-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 174181337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).