[6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone

C22H26N4O2 — CID 144846261

IUPAC[6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
SMILESCC1CCc2c(ccc(/C(=C/N)NN)c2Oc2ccccc2)N1C(=O)C1CC1
InChIInChI=1S/C22H26N4O2/c1-14-7-10-18-20(26(14)22(27)15-8-9-15)12-11-17(19(13-23)25-24)21(18)28-16-5-3-2-4-6-16/h2-6,11-15,25H,7-10,23-24H2,1H3/b19-13-
InChIKeyJCHXKYZBDUOMQC-UYRXBGFRSA-N
MW378.48 g/mol
LogP3.28
Rot. Bonds5

About [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone

[6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone (PubChem CID 144846261) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
PubChem CID144846261
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
SMILESCC1CCc2c(ccc(/C(=C/N)NN)c2Oc2ccccc2)N1C(=O)C1CC1
InChIInChI=1S/C22H26N4O2/c1-14-7-10-18-20(26(14)22(27)15-8-9-15)12-11-17(19(13-23)25-24)21(18)28-16-5-3-2-4-6-16/h2-6,11-15,25H,7-10,23-24H2,1H3/b19-13-
InChIKeyJCHXKYZBDUOMQC-UYRXBGFRSA-N
XLogP3.28
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The IUPAC name of [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone (CID 144846261) is [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone is CC1CCc2c(ccc(/C(=C/N)NN)c2Oc2ccccc2)N1C(=O)C1CC1.
What is the InChIKey of [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The InChIKey is JCHXKYZBDUOMQC-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-7-10-18-20(26(14)22(27)15-8-9-15)12-11-17(19(13-23)25-24)21(18)28-16-5-3-2-4-6-16/h2-6,11-15,25H,7-10,23-24H2,1H3/b19-13-.
What are the key properties of [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
[6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone has a molecular weight of 378.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 144846261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).