N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine

C19H18N4O3 — CID 149469877

IUPACN-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine
SMILESCOc1cc2nc(NC3CC3)nc(-c3cccc(N=O)c3)c2cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-16-9-14-15(10-17(16)26-2)21-19(20-12-6-7-12)22-18(14)11-4-3-5-13(8-11)23-24/h3-5,8-10,12H,6-7H2,1-2H3,(H,20,21,22)
InChIKeyZBDWEPCEMGTUJJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.29
Rot. Bonds6

About N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine

N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine (PubChem CID 149469877) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine
PubChem CID149469877
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine
SMILESCOc1cc2nc(NC3CC3)nc(-c3cccc(N=O)c3)c2cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-16-9-14-15(10-17(16)26-2)21-19(20-12-6-7-12)22-18(14)11-4-3-5-13(8-11)23-24/h3-5,8-10,12H,6-7H2,1-2H3,(H,20,21,22)
InChIKeyZBDWEPCEMGTUJJ-UHFFFAOYSA-N
XLogP4.29
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine?
The IUPAC name of N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine (CID 149469877) is N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine.
What is the SMILES notation for N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine?
The canonical SMILES for N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine is COc1cc2nc(NC3CC3)nc(-c3cccc(N=O)c3)c2cc1OC.
What is the InChIKey of N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine?
The InChIKey is ZBDWEPCEMGTUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-16-9-14-15(10-17(16)26-2)21-19(20-12-6-7-12)22-18(14)11-4-3-5-13(8-11)23-24/h3-5,8-10,12H,6-7H2,1-2H3,(H,20,21,22).
What are the key properties of N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine?
N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine has a molecular weight of 350.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine is sourced from PubChem (CID 149469877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).