(1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione

C25H16N4O2 — CID 155931502

IUPAC(1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione
SMILESO=C1c2ccccc2-n2c(nc3ccccc3c2=O)[C@@H]2Cc3c([nH]c4ccccc34)N12
InChIInChI=1S/C25H16N4O2/c30-24-15-8-2-5-11-19(15)27-23-21-13-17-14-7-1-4-10-18(14)26-22(17)29(21)25(31)16-9-3-6-12-20(16)28(23)24/h1-12,21,26H,13H2/t21-/m0/s1
InChIKeyGZFBZLBZXVAGBO-NRFANRHFSA-N
MW404.43 g/mol
LogP4.12
Rot. Bonds

About (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione

(1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione (PubChem CID 155931502) has the molecular formula C25H16N4O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione.

Molecular Properties

Compound Name(1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione
PubChem CID155931502
Molecular FormulaC25H16N4O2
Molecular Weight404.43 g/mol
Exact Mass404.13
IUPAC Name(1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione
SMILESO=C1c2ccccc2-n2c(nc3ccccc3c2=O)[C@@H]2Cc3c([nH]c4ccccc34)N12
InChIInChI=1S/C25H16N4O2/c30-24-15-8-2-5-11-19(15)27-23-21-13-17-14-7-1-4-10-18(14)26-22(17)29(21)25(31)16-9-3-6-12-20(16)28(23)24/h1-12,21,26H,13H2/t21-/m0/s1
InChIKeyGZFBZLBZXVAGBO-NRFANRHFSA-N
XLogP4.12
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione 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

(2S)-5,13,21-triazapentacyclo[11.8.0.02,5.07,12.015,20]henicosa-1(21),7,9,11,15,17,19-heptaene-6,14-dione
CID 101260426
(7R)-7-hydroxy-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
CID 162931041
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
CID 71327930
3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide
CID 162887957
16-methylidene-12-thia-10,15,18,26-tetrazahexacyclo[13.11.1.03,11.04,9.017,26.019,24]heptacosa-3(11),4,6,8,17,19,21,23-octaene-25,27-dione
CID 10645463
6-(2-oxo-1,3-dihydroindol-3-yl)-6H-indolo[2,1-b]quinazolin-12-one
CID 147850768
3,12,13,21-tetrazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 13435123
(7R)-2,3-dihydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
CID 139584272
2-[(2S,4S)-4-hydroxypyrrolidin-2-yl]-3-phenylquinazolin-4-one;hydrochloride
CID 175690191
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
(2S)-1-(12-oxoindolo[2,1-b]quinazolin-6-ylidene)pyrrolidin-1-ium-2-carboxylic acid
CID 138963543

Frequently Asked Questions

What is the IUPAC name of (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione?
The IUPAC name of (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione (CID 155931502) is (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione.
What is the SMILES notation for (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione?
The canonical SMILES for (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione is O=C1c2ccccc2-n2c(nc3ccccc3c2=O)[C@@H]2Cc3c([nH]c4ccccc34)N12.
What is the InChIKey of (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione?
The InChIKey is GZFBZLBZXVAGBO-NRFANRHFSA-N. The full InChI is InChI=1S/C25H16N4O2/c30-24-15-8-2-5-11-19(15)27-23-21-13-17-14-7-1-4-10-18(14)26-22(17)29(21)25(31)16-9-3-6-12-20(16)28(23)24/h1-12,21,26H,13H2/t21-/m0/s1.
What are the key properties of (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione?
(1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione has a molecular weight of 404.43 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,20(28),22,24,26-undecaene-10,18-dione is sourced from PubChem (CID 155931502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).