3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one

C17H19N5O2 — CID 3436162

IUPAC3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCCc1nn(CCO)c(N)c1-3
InChIInChI=1S/C17H19N5O2/c1-10-4-5-12-11(9-10)17(24)21-6-2-3-13-14(16(21)19-12)15(18)22(20-13)7-8-23/h4-5,9,23H,2-3,6-8,18H2,1H3
InChIKeyMZLLKWCXRTYNFK-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.09
Rot. Bonds2

About 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one

3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one (PubChem CID 3436162) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one.

Molecular Properties

Compound Name3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one
PubChem CID3436162
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCCc1nn(CCO)c(N)c1-3
InChIInChI=1S/C17H19N5O2/c1-10-4-5-12-11(9-10)17(24)21-6-2-3-13-14(16(21)19-12)15(18)22(20-13)7-8-23/h4-5,9,23H,2-3,6-8,18H2,1H3
InChIKeyMZLLKWCXRTYNFK-UHFFFAOYSA-N
XLogP1.09
TPSA98.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one 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

3-amino-4-benzyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12,14,16-hexaen-11-one
CID 3405757
3-amino-4-(4-methylphenyl)-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12,14,16-hexaen-11-one
CID 3408773
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one
CID 136826742
6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid
CID 70533513
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
7-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 118482542
6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 171485764
7-methyl-N-[2-(2-oxopiperidin-1-yl)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 166221804
2-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)propan-2-ol
CID 82450358

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one?
The IUPAC name of 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one (CID 3436162) is 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one.
What is the SMILES notation for 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one?
The canonical SMILES for 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one is Cc1ccc2nc3n(c(=O)c2c1)CCCc1nn(CCO)c(N)c1-3.
What is the InChIKey of 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one?
The InChIKey is MZLLKWCXRTYNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-4-5-12-11(9-10)17(24)21-6-2-3-13-14(16(21)19-12)15(18)22(20-13)7-8-23/h4-5,9,23H,2-3,6-8,18H2,1H3.
What are the key properties of 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one?
3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one has a molecular weight of 325.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one is sourced from PubChem (CID 3436162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).