(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine

C17H14ClNO4 — CID 7730706

IUPAC(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
SMILESCOc1ccc(-c2c/c(=N/O)c3cc(Cl)ccc3o2)cc1OC
InChIInChI=1S/C17H14ClNO4/c1-21-15-5-3-10(7-17(15)22-2)16-9-13(19-20)12-8-11(18)4-6-14(12)23-16/h3-9,20H,1-2H3/b19-13-
InChIKeyYEILJBSFVJLSRS-UYRXBGFRSA-N
MW331.76 g/mol
LogP4.06
Rot. Bonds3

About (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine

(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine (PubChem CID 7730706) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
PubChem CID7730706
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
SMILESCOc1ccc(-c2c/c(=N/O)c3cc(Cl)ccc3o2)cc1OC
InChIInChI=1S/C17H14ClNO4/c1-21-15-5-3-10(7-17(15)22-2)16-9-13(19-20)12-8-11(18)4-6-14(12)23-16/h3-9,20H,1-2H3/b19-13-
InChIKeyYEILJBSFVJLSRS-UYRXBGFRSA-N
XLogP4.06
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one
CID 139217452
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-[3-(dimethylamino)propyl]azanium perchlorate
CID 20998909
2-[[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]amino]butanoic acid
CID 3749969
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
(NZ)-N-[6-chloro-2-(4-methoxyphenyl)-7-methylchromen-4-ylidene]hydroxylamine
CID 7730715
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol
CID 171976908
ethyl 6-chloro-4-(3,4-dimethoxyphenyl)-2-oxochromene-3-carboxylate
CID 19105287
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine (CID 7730706) is (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine is COc1ccc(-c2c/c(=N/O)c3cc(Cl)ccc3o2)cc1OC.
What is the InChIKey of (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine?
The InChIKey is YEILJBSFVJLSRS-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-21-15-5-3-10(7-17(15)22-2)16-9-13(19-20)12-8-11(18)4-6-14(12)23-16/h3-9,20H,1-2H3/b19-13-.
What are the key properties of (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine?
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine has a molecular weight of 331.76 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 7730706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).