10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

C20H21N3O3 — CID 6622675

IUPAC10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
SMILESCC(C)CNc1cc(NCCO)c2c3c(onc13)-c1ccccc1C2=O
InChIInChI=1S/C20H21N3O3/c1-11(2)10-22-15-9-14(21-7-8-24)16-17-18(15)23-26-20(17)13-6-4-3-5-12(13)19(16)25/h3-6,9,11,21-22,24H,7-8,10H2,1-2H3
InChIKeyRVNXJBYMNBWKTE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.51
Rot. Bonds6

About 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one (PubChem CID 6622675) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.

Molecular Properties

Compound Name10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
PubChem CID6622675
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
SMILESCC(C)CNc1cc(NCCO)c2c3c(onc13)-c1ccccc1C2=O
InChIInChI=1S/C20H21N3O3/c1-11(2)10-22-15-9-14(21-7-8-24)16-17-18(15)23-26-20(17)13-6-4-3-5-12(13)19(16)25/h3-6,9,11,21-22,24H,7-8,10H2,1-2H3
InChIKeyRVNXJBYMNBWKTE-UHFFFAOYSA-N
XLogP3.51
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'quinone_B(5)', 'substructure': 'N/A'}

Analyze 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one?
The IUPAC name of 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one (CID 6622675) is 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.
What is the SMILES notation for 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one?
The canonical SMILES for 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one is CC(C)CNc1cc(NCCO)c2c3c(onc13)-c1ccccc1C2=O.
What is the InChIKey of 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one?
The InChIKey is RVNXJBYMNBWKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-11(2)10-22-15-9-14(21-7-8-24)16-17-18(15)23-26-20(17)13-6-4-3-5-12(13)19(16)25/h3-6,9,11,21-22,24H,7-8,10H2,1-2H3.
What are the key properties of 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one?
10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one has a molecular weight of 351.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxyethylamino)-12-(2-methylpropylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one is sourced from PubChem (CID 6622675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).