N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine

C16H18N2O3 — CID 106472954

IUPACN-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine
SMILESCNc1c2c(nc3cc4c(cc13)OCCCO4)CCOC2
InChIInChI=1S/C16H18N2O3/c1-17-16-10-7-14-15(21-5-2-4-20-14)8-13(10)18-12-3-6-19-9-11(12)16/h7-8H,2-6,9H2,1H3,(H,17,18)
InChIKeyQRUWTMVANZTWJL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds1

About N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine

N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine (PubChem CID 106472954) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine.

Molecular Properties

Compound NameN-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine
PubChem CID106472954
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine
SMILESCNc1c2c(nc3cc4c(cc13)OCCCO4)CCOC2
InChIInChI=1S/C16H18N2O3/c1-17-16-10-7-14-15(21-5-2-4-20-14)8-13(10)18-12-3-6-19-9-11(12)16/h7-8H,2-6,9H2,1H3,(H,17,18)
InChIKeyQRUWTMVANZTWJL-UHFFFAOYSA-N
XLogP2.51
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine with MolForge

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Related Compounds

8-ethoxy-7-fluoro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473352
N,7,8-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 62201799
N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine
CID 63481035
8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473049
6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473322
N-cyclopropyl-8-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473014
(8-tert-butyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473750
N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 63744415
7-fluoro-8-methyl-N-propyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473331
N,N-diethyl-10-hydrazinyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-8-amine
CID 106473776
6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473027
N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481043

Frequently Asked Questions

What is the IUPAC name of N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine?
The IUPAC name of N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine (CID 106472954) is N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine.
What is the SMILES notation for N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine?
The canonical SMILES for N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine is CNc1c2c(nc3cc4c(cc13)OCCCO4)CCOC2.
What is the InChIKey of N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine?
The InChIKey is QRUWTMVANZTWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-16-10-7-14-15(21-5-2-4-20-14)8-13(10)18-12-3-6-19-9-11(12)16/h7-8H,2-6,9H2,1H3,(H,17,18).
What are the key properties of N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine?
N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine has a molecular weight of 286.33 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine is sourced from PubChem (CID 106472954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).