(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

C17H20N4O3 — CID 87290823

IUPAC(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCOc1cccc(OC)c1C1C/C(=N/O)c2c(C)nc(N)nc2C1
InChIInChI=1S/C17H20N4O3/c1-9-15-11(20-17(18)19-9)7-10(8-12(15)21-22)16-13(23-2)5-4-6-14(16)24-3/h4-6,10,22H,7-8H2,1-3H3,(H2,18,19,20)/b21-12-
InChIKeyYPCLEPSDPRZKNZ-MTJSOVHGSA-N
MW328.37 g/mol
LogP2.29
Rot. Bonds3

About (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (PubChem CID 87290823) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
PubChem CID87290823
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCOc1cccc(OC)c1C1C/C(=N/O)c2c(C)nc(N)nc2C1
InChIInChI=1S/C17H20N4O3/c1-9-15-11(20-17(18)19-9)7-10(8-12(15)21-22)16-13(23-2)5-4-6-14(16)24-3/h4-6,10,22H,7-8H2,1-3H3,(H2,18,19,20)/b21-12-
InChIKeyYPCLEPSDPRZKNZ-MTJSOVHGSA-N
XLogP2.29
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (CID 87290823) is (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is COc1cccc(OC)c1C1C/C(=N/O)c2c(C)nc(N)nc2C1.
What is the InChIKey of (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The InChIKey is YPCLEPSDPRZKNZ-MTJSOVHGSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-9-15-11(20-17(18)19-9)7-10(8-12(15)21-22)16-13(23-2)5-4-6-14(16)24-3/h4-6,10,22H,7-8H2,1-3H3,(H2,18,19,20)/b21-12-.
What are the key properties of (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine has a molecular weight of 328.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is sourced from PubChem (CID 87290823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).