5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C24H28ClN5O3 — CID 137416218

IUPAC5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C24H28ClN5O3/c1-14(2)30(13-18-26-9-10-29(18)3)22(31)17-12-15-11-16(25)20-19(21(15)33-17)24(28-23(32)27-20)7-5-4-6-8-24/h9-12,14H,4-8,13H2,1-3H3,(H2,27,28,32)
InChIKeyGBZWGQNODGXVNV-UHFFFAOYSA-N
MW469.97 g/mol
LogP5.16
Rot. Bonds4

About 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137416218) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137416218
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C24H28ClN5O3/c1-14(2)30(13-18-26-9-10-29(18)3)22(31)17-12-15-11-16(25)20-19(21(15)33-17)24(28-23(32)27-20)7-5-4-6-8-24/h9-12,14H,4-8,13H2,1-3H3,(H2,27,28,32)
InChIKeyGBZWGQNODGXVNV-UHFFFAOYSA-N
XLogP5.16
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(1-Benzofuran-2-yl)-2-(3-methylimidazol-3-ium-1-yl)ethyl]-6-chloroquinazolin-4-one chloride
CID 155518691
US11685745, Example 355
CID 137415848
US11685745, Example 280
CID 137415978
US11685745, Example 367
CID 137416772
US11685745, Example 324
CID 137415843
US11685745, Example 425
CID 137415851
US11685745, Example 30
CID 137415903
US11685745, Example 504
CID 137415921
US11685745, Example 491
CID 137415941
US11685745, Example 364
CID 137416104
US11685745, Example 288
CID 137416141
US11685745, Example 290
CID 137416193

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137416218) is 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is CC(C)N(Cc1nccn1C)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is GBZWGQNODGXVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-14(2)30(13-18-26-9-10-29(18)3)22(31)17-12-15-11-16(25)20-19(21(15)33-17)24(28-23(32)27-20)7-5-4-6-8-24/h9-12,14H,4-8,13H2,1-3H3,(H2,27,28,32).
What are the key properties of 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 469.97 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137416218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).