6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide

C27H32N4O5 — CID 23533312

IUPAC6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1cc(N2CCCN(C)CC2)c2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H32N4O5/c1-29-8-3-9-31(11-10-29)23-17-21(34-2)16-22-24(32)18-25(36-26(22)23)27(33)28-19-4-6-20(7-5-19)30-12-14-35-15-13-30/h4-7,16-18H,3,8-15H2,1-2H3,(H,28,33)
InChIKeyRKWNRZJXSUQXEV-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.03
Rot. Bonds5

About 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide

6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide (PubChem CID 23533312) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
PubChem CID23533312
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1cc(N2CCCN(C)CC2)c2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1
InChIInChI=1S/C27H32N4O5/c1-29-8-3-9-31(11-10-29)23-17-21(34-2)16-22-24(32)18-25(36-26(22)23)27(33)28-19-4-6-20(7-5-19)30-12-14-35-15-13-30/h4-7,16-18H,3,8-15H2,1-2H3,(H,28,33)
InChIKeyRKWNRZJXSUQXEV-UHFFFAOYSA-N
XLogP3.03
TPSA87.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-ethoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533300
6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-4-oxochromene-2-carboxylic acid;hydrochloride
CID 69269151
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
CID 23533346
tert-butyl 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylate
CID 23533373
4-(dimethylamino)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
CID 10164215
N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
CID 91569187
6-methoxy-4-(methylamino)-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydroquinoline-2-carboxamide
CID 90920930
6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-1H-quinoline-2-carboxamide
CID 23533313
(2R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25067561
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
7-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812399

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide (CID 23533312) is 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide is COc1cc(N2CCCN(C)CC2)c2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is RKWNRZJXSUQXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-29-8-3-9-31(11-10-29)23-17-21(34-2)16-22-24(32)18-25(36-26(22)23)27(33)28-19-4-6-20(7-5-19)30-12-14-35-15-13-30/h4-7,16-18H,3,8-15H2,1-2H3,(H,28,33).
What are the key properties of 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide?
6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 23533312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).