13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one

C24H31N7O3 — CID 143753490

IUPAC13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one
SMILESCCCNc1c(OC)cc2cc1OCC(=O)N(C)CC1CN(Cc3c[nH]c4ncnc(c34)N2)C1
InChIInChI=1S/C24H31N7O3/c1-4-5-25-22-18(33-3)6-17-7-19(22)34-13-20(32)30(2)9-15-10-31(11-15)12-16-8-26-23-21(16)24(29-17)28-14-27-23/h6-8,14-15,25H,4-5,9-13H2,1-3H3,(H2,26,27,28,29)
InChIKeyWVTUKRBYIAZZSU-UHFFFAOYSA-N
MW465.56 g/mol
LogP2.81
Rot. Bonds4

About 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one

13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one (PubChem CID 143753490) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one.

Molecular Properties

Compound Name13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one
PubChem CID143753490
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC Name13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one
SMILESCCCNc1c(OC)cc2cc1OCC(=O)N(C)CC1CN(Cc3c[nH]c4ncnc(c34)N2)C1
InChIInChI=1S/C24H31N7O3/c1-4-5-25-22-18(33-3)6-17-7-19(22)34-13-20(32)30(2)9-15-10-31(11-15)12-16-8-26-23-21(16)24(29-17)28-14-27-23/h6-8,14-15,25H,4-5,9-13H2,1-3H3,(H2,26,27,28,29)
InChIKeyWVTUKRBYIAZZSU-UHFFFAOYSA-N
XLogP2.81
TPSA107.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one with MolForge

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Related Compounds

11-cyclohexyl-6-methoxy-15-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
CID 59442391
6-(2-hydroxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
CID 59442293
5,6-dimethoxy-9,12-dimethyl-2,9,12,18,20,22-hexazatetracyclo[14.6.1.13,7.019,23]tetracosa-1(22),3(24),4,6,16,19(23),20-heptaen-11-one
CID 59442238
(12R)-12-(hydroxymethyl)-6-methoxy-14-methyl-8-oxa-2,11,14,20,22,24-hexazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(24),3(26),4,6,18,21(25),22-heptaen-10-one
CID 71053657
6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one
CID 25183300
17-oxa-1,5,7,9,11,23-hexazapentacyclo[21.2.2.13,6.112,16.010,29]nonacosa-3,6(29),7,9,12(28),13,15-heptaen-22-one
CID 59442367
6-[2-(4-methoxyphenoxy)ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,20(24),21-hexaen-10-one
CID 70862245
6-chloro-11,15,19-trimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
CID 59442372
6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one
CID 25183448
6-[2-[benzyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one
CID 25183303
N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide
CID 146048147
6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one
CID 71030431

Frequently Asked Questions

What is the IUPAC name of 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one?
The IUPAC name of 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one (CID 143753490) is 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one.
What is the SMILES notation for 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one?
The canonical SMILES for 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one is CCCNc1c(OC)cc2cc1OCC(=O)N(C)CC1CN(Cc3c[nH]c4ncnc(c34)N2)C1.
What is the InChIKey of 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one?
The InChIKey is WVTUKRBYIAZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-4-5-25-22-18(33-3)6-17-7-19(22)34-13-20(32)30(2)9-15-10-31(11-15)12-16-8-26-23-21(16)24(29-17)28-14-27-23/h6-8,14-15,25H,4-5,9-13H2,1-3H3,(H2,26,27,28,29).
What are the key properties of 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one?
13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one has a molecular weight of 465.56 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-7-methyl-12-(propylamino)-10-oxa-3,7,16,18,20,22-hexazapentacyclo[15.6.1.13,5.111,15.021,24]hexacosa-1(23),11,13,15(25),17,19,21(24)-heptaen-8-one is sourced from PubChem (CID 143753490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).