N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride

C14H17ClN4O3 — CID 45264362

IUPACN-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
SMILESCCn1cc(C(=O)N=C(N)N)c(=O)c2cc(OC)ccc21.Cl
InChIInChI=1S/C14H16N4O3.ClH/c1-3-18-7-10(13(20)17-14(15)16)12(19)9-6-8(21-2)4-5-11(9)18;/h4-7H,3H2,1-2H3,(H4,15,16,17,20);1H
InChIKeyFTMRAGVXBILWCI-UHFFFAOYSA-N
MW324.77 g/mol
LogP0.87
Rot. Bonds3

About N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride

N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride (PubChem CID 45264362) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
PubChem CID45264362
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC NameN-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
SMILESCCn1cc(C(=O)N=C(N)N)c(=O)c2cc(OC)ccc21.Cl
InChIInChI=1S/C14H16N4O3.ClH/c1-3-18-7-10(13(20)17-14(15)16)12(19)9-6-8(21-2)4-5-11(9)18;/h4-7H,3H2,1-2H3,(H4,15,16,17,20);1H
InChIKeyFTMRAGVXBILWCI-UHFFFAOYSA-N
XLogP0.87
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42570073
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830
1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride (CID 45264362) is N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride is CCn1cc(C(=O)N=C(N)N)c(=O)c2cc(OC)ccc21.Cl.
What is the InChIKey of N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride?
The InChIKey is FTMRAGVXBILWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3.ClH/c1-3-18-7-10(13(20)17-14(15)16)12(19)9-6-8(21-2)4-5-11(9)18;/h4-7H,3H2,1-2H3,(H4,15,16,17,20);1H.
What are the key properties of N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride?
N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride has a molecular weight of 324.77 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 45264362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).