N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine

C16H17N3O2 — CID 86098714

IUPACN-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine
SMILESCOc1ccccc1CN1Cc2ccccc2N=C1NO
InChIInChI=1S/C16H17N3O2/c1-21-15-9-5-3-7-13(15)11-19-10-12-6-2-4-8-14(12)17-16(19)18-20/h2-9,20H,10-11H2,1H3,(H,17,18)
InChIKeyPQSJQIUFVNXLBH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.68
Rot. Bonds3

About N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine

N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine (PubChem CID 86098714) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine
PubChem CID86098714
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine
SMILESCOc1ccccc1CN1Cc2ccccc2N=C1NO
InChIInChI=1S/C16H17N3O2/c1-21-15-9-5-3-7-13(15)11-19-10-12-6-2-4-8-14(12)17-16(19)18-20/h2-9,20H,10-11H2,1H3,(H,17,18)
InChIKeyPQSJQIUFVNXLBH-UHFFFAOYSA-N
XLogP2.68
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline
CID 68554630
3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 70040357
4-[(2-methoxyphenyl)methyl]-2-methyl-5H-1,4-benzoxazepin-3-one
CID 53335578
4-[(2-methoxyphenyl)methyl]-8-methyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
CID 16669230
[1-[(2-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]-[(4-sulfanylphenyl)methylamino]methanol
CID 142286668
2-[(2-methoxyphenyl)methyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 3828179
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
8,31-bis[(2-methoxyphenyl)methyl]-15,24-dimethyl-8,15,24,31-tetrazatricyclo[31.2.2.23,6]nonatriaconta-1(35),3(39),4,6(38),33,36-hexaene
CID 11104775
4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 46932615
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine?
The IUPAC name of N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine (CID 86098714) is N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine?
The canonical SMILES for N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine is COc1ccccc1CN1Cc2ccccc2N=C1NO.
What is the InChIKey of N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine?
The InChIKey is PQSJQIUFVNXLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-9-5-3-7-13(15)11-19-10-12-6-2-4-8-14(12)17-16(19)18-20/h2-9,20H,10-11H2,1H3,(H,17,18).
What are the key properties of N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine?
N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine has a molecular weight of 283.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)methyl]-4H-quinazolin-2-yl]hydroxylamine is sourced from PubChem (CID 86098714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).