4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione

C24H18N4O2 — CID 20765476

IUPAC4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione
SMILESCn1c2ccccc2c2c3c(c4c5cccc6c5n(c4c21)CCNC6)C(=O)NC3=O
InChIInChI=1S/C24H18N4O2/c1-27-15-8-3-2-6-13(15)16-18-19(24(30)26-23(18)29)17-14-7-4-5-12-11-25-9-10-28(20(12)14)22(17)21(16)27/h2-8,25H,9-11H2,1H3,(H,26,29,30)
InChIKeySCVVQGUFAATPHI-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.43
Rot. Bonds

About 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione

4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione (PubChem CID 20765476) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione.

Molecular Properties

Compound Name4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione
PubChem CID20765476
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione
SMILESCn1c2ccccc2c2c3c(c4c5cccc6c5n(c4c21)CCNC6)C(=O)NC3=O
InChIInChI=1S/C24H18N4O2/c1-27-15-8-3-2-6-13(15)16-18-19(24(30)26-23(18)29)17-14-7-4-5-12-11-25-9-10-28(20(12)14)22(17)21(16)27/h2-8,25H,9-11H2,1H3,(H,26,29,30)
InChIKeySCVVQGUFAATPHI-UHFFFAOYSA-N
XLogP3.43
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione with MolForge

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Related Compounds

1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione
CID 5330644
3-[(4S)-4-hydroxycyclopent-2-en-1-yl]-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 67561781
16,17-dihydroxy-4,14,20-triazaheptacyclo[12.12.2.02,6.07,28.08,13.020,27.021,26]octacosa-1,6,8,10,12,21,23,25,27-nonaene-3,5-dione
CID 25070295
20-bromo-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione
CID 5330710
7-methoxy-23-methyl-3-oxa-13,23-diazahexacyclo[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 165437373
6-methyl-4-[[(4-methylpiperazin-1-yl)amino]methyl]pyrrolo[3,4-c]carbazole-1,3-dione
CID 10150446
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
6-butyl-1,4,14-triazaheptacyclo[16.7.1.02,17.03,11.05,10.012,16.022,26]hexacosa-2,5,7,9,11,16,18,20,22(26)-nonaene-13,15-dione
CID 20765451
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
(3,5-dioxo-4,14,19-triazaheptacyclo[12.11.2.02,6.07,27.08,13.019,26.020,25]heptacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl) 1,4-diazepane-1-carboxylate
CID 58993362
(11R,12S)-11,12-dihydroxy-8,15,25-triazaheptacyclo[13.12.2.02,7.08,28.016,21.022,29.023,27]nonacosa-1(27),2,4,6,16,18,20,22,28-nonaen-24-one
CID 45272486
3,23-dimethyl-13-(propan-2-ylideneamino)-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 10811419

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione?
The IUPAC name of 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione (CID 20765476) is 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione.
What is the SMILES notation for 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione?
The canonical SMILES for 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione is Cn1c2ccccc2c2c3c(c4c5cccc6c5n(c4c21)CCNC6)C(=O)NC3=O.
What is the InChIKey of 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione?
The InChIKey is SCVVQGUFAATPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-27-15-8-3-2-6-13(15)16-18-19(24(30)26-23(18)29)17-14-7-4-5-12-11-25-9-10-28(20(12)14)22(17)21(16)27/h2-8,25H,9-11H2,1H3,(H,26,29,30).
What are the key properties of 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione?
4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione has a molecular weight of 394.43 g/mol, XLogP of 3.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-13,15-dione is sourced from PubChem (CID 20765476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).