1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone

C21H23N3O5 — CID 102218617

IUPAC1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone
SMILESCCN1c2c(c(=O)oc3ccc(C)cc23)CC2(C(=O)N(C)C(=O)N(C)C2=O)C1C
InChIInChI=1S/C21H23N3O5/c1-6-24-12(3)21(18(26)22(4)20(28)23(5)19(21)27)10-14-16(24)13-9-11(2)7-8-15(13)29-17(14)25/h7-9,12H,6,10H2,1-5H3
InChIKeyYUCYYQHADCFYBW-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.91
Rot. Bonds1

About 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone

1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone (PubChem CID 102218617) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone.

Molecular Properties

Compound Name1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone
PubChem CID102218617
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone
SMILESCCN1c2c(c(=O)oc3ccc(C)cc23)CC2(C(=O)N(C)C(=O)N(C)C2=O)C1C
InChIInChI=1S/C21H23N3O5/c1-6-24-12(3)21(18(26)22(4)20(28)23(5)19(21)27)10-14-16(24)13-9-11(2)7-8-15(13)29-17(14)25/h7-9,12H,6,10H2,1-5H3
InChIKeyYUCYYQHADCFYBW-UHFFFAOYSA-N
XLogP1.91
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone 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

1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone
CID 102218625
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
13-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-6,20-dimethyl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
CID 54716867
(1R,14S)-21-ethyl-8,17-dimethyl-4,12-dioxa-21-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-2(11),5(10),6,8,15(20),16,18-heptaen-3-one
CID 102474479
4,8-diethyl-5,7-dimethyl-18-oxa-4,8-diazatetracyclo[9.7.0.03,9.012,16]octadeca-1,3(9),10,12(16)-tetraen-17-one
CID 58939704
2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 54680617
(1S,14S)-8,17,21-trimethyl-4,12-dioxa-21-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-2(11),5(10),6,8,15(20),16,18-heptaen-3-one
CID 102474485
(1S)-7-methyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41201797
3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
CID 163125433
3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxy-6-methylchromen-2-one
CID 137306635
6-methyl-4-(3-methylpiperidin-1-yl)-2-oxochromene-3-carbonitrile
CID 82018984
10-methoxy-2-methylnaphtho[2,3-c]chromen-6-one
CID 15262080

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone?
The IUPAC name of 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone (CID 102218617) is 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone.
What is the SMILES notation for 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone?
The canonical SMILES for 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone is CCN1c2c(c(=O)oc3ccc(C)cc23)CC2(C(=O)N(C)C(=O)N(C)C2=O)C1C.
What is the InChIKey of 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone?
The InChIKey is YUCYYQHADCFYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-6-24-12(3)21(18(26)22(4)20(28)23(5)19(21)27)10-14-16(24)13-9-11(2)7-8-15(13)29-17(14)25/h7-9,12H,6,10H2,1-5H3.
What are the key properties of 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone?
1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone has a molecular weight of 397.43 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-1,2',3,9'-tetramethylspiro[1,3-diazinane-5,3'-2,4-dihydrochromeno[4,3-b]pyridine]-2,4,5',6-tetrone is sourced from PubChem (CID 102218617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).