15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione

C19H18N4O2 — CID 46904447

IUPAC15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
SMILESCCCC1NC(=O)c2cccnc2-n2c1nc1cc(C)ccc1c2=O
InChIInChI=1S/C19H18N4O2/c1-3-5-14-17-21-15-10-11(2)7-8-12(15)19(25)23(17)16-13(18(24)22-14)6-4-9-20-16/h4,6-10,14H,3,5H2,1-2H3,(H,22,24)
InChIKeyDWHFUNPPSYQCSP-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.67
Rot. Bonds2

About 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione

15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione (PubChem CID 46904447) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione.

Molecular Properties

Compound Name15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
PubChem CID46904447
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
SMILESCCCC1NC(=O)c2cccnc2-n2c1nc1cc(C)ccc1c2=O
InChIInChI=1S/C19H18N4O2/c1-3-5-14-17-21-15-10-11(2)7-8-12(15)19(25)23(17)16-13(18(24)22-14)6-4-9-20-16/h4,6-10,14H,3,5H2,1-2H3,(H,22,24)
InChIKeyDWHFUNPPSYQCSP-UHFFFAOYSA-N
XLogP2.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione with MolForge

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Related Compounds

15,16-difluoro-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13,15,17-heptaene-8,19-dione
CID 46904457
10-[(4-hydroxyphenyl)methyl]-15-methyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione
CID 46904349
10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13,15,17-heptaene-8,19-dione;2,2,2-trifluoroacetic acid
CID 46904442
10-ethyl-16-methoxy-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione;2,2,2-trifluoroacetic acid
CID 46904424
10-benzyl-15,16-dimethoxy-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13,15,17-heptaene-8,19-dione;2,2,2-trifluoroacetic acid
CID 46904342
10-benzyl-16-methoxy-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione;2,2,2-trifluoroacetic acid
CID 46904336
3-(5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl)propanamide
CID 162887957
2-(aminomethyl)-3,7-dimethylquinazolin-4-one
CID 84777308
2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 140544636
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
8-methyl-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
CID 102502109
7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 20994803

Frequently Asked Questions

What is the IUPAC name of 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione?
The IUPAC name of 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione (CID 46904447) is 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione.
What is the SMILES notation for 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione?
The canonical SMILES for 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione is CCCC1NC(=O)c2cccnc2-n2c1nc1cc(C)ccc1c2=O.
What is the InChIKey of 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione?
The InChIKey is DWHFUNPPSYQCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-5-14-17-21-15-10-11(2)7-8-12(15)19(25)23(17)16-13(18(24)22-14)6-4-9-20-16/h4,6-10,14H,3,5H2,1-2H3,(H,22,24).
What are the key properties of 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione?
15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione has a molecular weight of 334.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-10-propyl-1,3,9,12-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-2(7),3,5,11,13(18),14,16-heptaene-8,19-dione is sourced from PubChem (CID 46904447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).