N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide

C18H23N3O2 — CID 143056148

IUPACN-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide
SMILESC/C=C(\N/C(C)=N/C(C)C)c1cc(=O)c2ccc(OC)cc2[nH]1
InChIInChI=1S/C18H23N3O2/c1-6-15(20-12(4)19-11(2)3)17-10-18(22)14-8-7-13(23-5)9-16(14)21-17/h6-11H,1-5H3,(H,19,20)(H,21,22)/b15-6-
InChIKeyVPURTHYJQHDVLF-UUASQNMZSA-N
MW313.40 g/mol
LogP3.31
Rot. Bonds4

About N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide

N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide (PubChem CID 143056148) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide
PubChem CID143056148
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide
SMILESC/C=C(\N/C(C)=N/C(C)C)c1cc(=O)c2ccc(OC)cc2[nH]1
InChIInChI=1S/C18H23N3O2/c1-6-15(20-12(4)19-11(2)3)17-10-18(22)14-8-7-13(23-5)9-16(14)21-17/h6-11H,1-5H3,(H,19,20)(H,21,22)/b15-6-
InChIKeyVPURTHYJQHDVLF-UUASQNMZSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-acetyl-7-methoxy-1H-quinolin-4-one
CID 59108287
acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one
CID 142895022
2-[(Z)-1-amino-2-[1-(propan-2-ylamino)ethenylsulfanyl]ethenyl]-7-methoxy-1H-quinolin-4-one
CID 70305039
7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one
CID 143362238
7-methoxy-2-[5-(propan-2-ylamino)-1H-pyrazol-4-yl]-1H-quinolin-4-one
CID 68723516
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
2,7-dimethoxy-9H-carbazole-3-carbaldehyde
CID 5317755
6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one
CID 141027507

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide?
The IUPAC name of N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide (CID 143056148) is N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide.
What is the SMILES notation for N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide?
The canonical SMILES for N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide is C/C=C(\N/C(C)=N/C(C)C)c1cc(=O)c2ccc(OC)cc2[nH]1.
What is the InChIKey of N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide?
The InChIKey is VPURTHYJQHDVLF-UUASQNMZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-6-15(20-12(4)19-11(2)3)17-10-18(22)14-8-7-13(23-5)9-16(14)21-17/h6-11H,1-5H3,(H,19,20)(H,21,22)/b15-6-.
What are the key properties of N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide?
N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide has a molecular weight of 313.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 143056148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).