23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione

C28H30N4O4 — CID 139979023

IUPAC23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione
SMILESCOC1=Cc2c([nH]c3c2c2c(c4c5cc(OC)ccc5n(CCCN(C)C)c34)CN(C)C2=O)C(=O)C1
InChIInChI=1S/C28H30N4O4/c1-30(2)9-6-10-32-20-8-7-15(35-4)11-17(20)22-19-14-31(3)28(34)24(19)23-18-12-16(36-5)13-21(33)25(18)29-26(23)27(22)32/h7-8,11-12,29H,6,9-10,13-14H2,1-5H3
InChIKeyHAAZNCGRTXHOQZ-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.40
Rot. Bonds6

About 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione

23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione (PubChem CID 139979023) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione.

Molecular Properties

Compound Name23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione
PubChem CID139979023
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione
SMILESCOC1=Cc2c([nH]c3c2c2c(c4c5cc(OC)ccc5n(CCCN(C)C)c34)CN(C)C2=O)C(=O)C1
InChIInChI=1S/C28H30N4O4/c1-30(2)9-6-10-32-20-8-7-15(35-4)11-17(20)22-19-14-31(3)28(34)24(19)23-18-12-16(36-5)13-21(33)25(18)29-26(23)27(22)32/h7-8,11-12,29H,6,9-10,13-14H2,1-5H3
InChIKeyHAAZNCGRTXHOQZ-UHFFFAOYSA-N
XLogP4.40
TPSA79.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione with MolForge

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Related Compounds

23-[3-(dimethylamino)propyl]-7-methoxy-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 21216882
9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one
CID 45380802
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
CID 162648090
3-(2,7-dimethoxycarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 58544929
3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one
CID 4906216
4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
CID 97356822
9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride
CID 138398345
3-[3-(dimethylamino)propyl]-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
CID 67874484
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
CID 19808807
3-[3-(dimethylamino)propyl]-6,7-dimethoxy-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 21216834

Frequently Asked Questions

What is the IUPAC name of 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione?
The IUPAC name of 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione (CID 139979023) is 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione.
What is the SMILES notation for 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione?
The canonical SMILES for 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione is COC1=Cc2c([nH]c3c2c2c(c4c5cc(OC)ccc5n(CCCN(C)C)c34)CN(C)C2=O)C(=O)C1.
What is the InChIKey of 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione?
The InChIKey is HAAZNCGRTXHOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-30(2)9-6-10-32-20-8-7-15(35-4)11-17(20)22-19-14-31(3)28(34)24(19)23-18-12-16(36-5)13-21(33)25(18)29-26(23)27(22)32/h7-8,11-12,29H,6,9-10,13-14H2,1-5H3.
What are the key properties of 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione?
23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione has a molecular weight of 486.57 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[3-(dimethylamino)propyl]-7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),7,10,15,17(22),18,20-octaene-5,12-dione is sourced from PubChem (CID 139979023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).