N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

C20H19N5O — CID 76750889

IUPACN-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1nc(N)nc2c1C(=NO)CC(c1ccccc1-c1cccnc1)C2
InChIInChI=1S/C20H19N5O/c1-12-19-17(24-20(21)23-12)9-14(10-18(19)25-26)16-7-3-2-6-15(16)13-5-4-8-22-11-13/h2-8,11,14,26H,9-10H2,1H3,(H2,21,23,24)
InChIKeyALDCUNYXOZZGQC-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.34
Rot. Bonds2

About N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (PubChem CID 76750889) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
PubChem CID76750889
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1nc(N)nc2c1C(=NO)CC(c1ccccc1-c1cccnc1)C2
InChIInChI=1S/C20H19N5O/c1-12-19-17(24-20(21)23-12)9-14(10-18(19)25-26)16-7-3-2-6-15(16)13-5-4-8-22-11-13/h2-8,11,14,26H,9-10H2,1H3,(H2,21,23,24)
InChIKeyALDCUNYXOZZGQC-UHFFFAOYSA-N
XLogP3.34
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The IUPAC name of N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (CID 76750889) is N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The canonical SMILES for N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is Cc1nc(N)nc2c1C(=NO)CC(c1ccccc1-c1cccnc1)C2.
What is the InChIKey of N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The InChIKey is ALDCUNYXOZZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-19-17(24-20(21)23-12)9-14(10-18(19)25-26)16-7-3-2-6-15(16)13-5-4-8-22-11-13/h2-8,11,14,26H,9-10H2,1H3,(H2,21,23,24).
What are the key properties of N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine has a molecular weight of 345.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is sourced from PubChem (CID 76750889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).