(5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one

C18H14N4O2 — CID 50944061

IUPAC(5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C/c1ccc(-c2cnc3ccccc3c2)o1
InChIInChI=1S/C18H14N4O2/c1-22-15(17(23)21-18(22)19)9-13-6-7-16(24-13)12-8-11-4-2-3-5-14(11)20-10-12/h2-10H,1H3,(H2,19,21,23)/b15-9-
InChIKeyOFUOWVPJTPXXPN-DHDCSXOGSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds2

About (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one

(5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one (PubChem CID 50944061) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one
PubChem CID50944061
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name(5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C/c1ccc(-c2cnc3ccccc3c2)o1
InChIInChI=1S/C18H14N4O2/c1-22-15(17(23)21-18(22)19)9-13-6-7-16(24-13)12-8-11-4-2-3-5-14(11)20-10-12/h2-10H,1H3,(H2,19,21,23)/b15-9-
InChIKeyOFUOWVPJTPXXPN-DHDCSXOGSA-N
XLogP2.62
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one (CID 50944061) is (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one is CN1C(N)=NC(=O)/C1=C/c1ccc(-c2cnc3ccccc3c2)o1.
What is the InChIKey of (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one?
The InChIKey is OFUOWVPJTPXXPN-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-22-15(17(23)21-18(22)19)9-13-6-7-16(24-13)12-8-11-4-2-3-5-14(11)20-10-12/h2-10H,1H3,(H2,19,21,23)/b15-9-.
What are the key properties of (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one?
(5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one has a molecular weight of 318.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-1-methyl-5-[(5-quinolin-3-ylfuran-2-yl)methylidene]imidazol-4-one is sourced from PubChem (CID 50944061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).