N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide

C19H23ClN4O3 — CID 137415972

IUPACN-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide
SMILESO=CNCCNCc1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C19H23ClN4O3/c20-14-9-12-8-13(10-21-6-7-22-11-25)27-17(12)15-16(14)23-18(26)24-19(15)4-2-1-3-5-19/h8-9,11,21H,1-7,10H2,(H,22,25)(H2,23,24,26)
InChIKeyZQTKNVQFXFRYBB-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.22
Rot. Bonds6

About N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide

N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide (PubChem CID 137415972) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide
PubChem CID137415972
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide
SMILESO=CNCCNCc1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C19H23ClN4O3/c20-14-9-12-8-13(10-21-6-7-22-11-25)27-17(12)15-16(14)23-18(26)24-19(15)4-2-1-3-5-19/h8-9,11,21H,1-7,10H2,(H,22,25)(H2,23,24,26)
InChIKeyZQTKNVQFXFRYBB-UHFFFAOYSA-N
XLogP3.22
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide?
The IUPAC name of N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide (CID 137415972) is N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide?
The canonical SMILES for N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide is O=CNCCNCc1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide?
The InChIKey is ZQTKNVQFXFRYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c20-14-9-12-8-13(10-21-6-7-22-11-25)27-17(12)15-16(14)23-18(26)24-19(15)4-2-1-3-5-19/h8-9,11,21H,1-7,10H2,(H,22,25)(H2,23,24,26).
What are the key properties of N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide?
N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide has a molecular weight of 390.87 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methylamino]ethyl]formamide is sourced from PubChem (CID 137415972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).