14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one

C19H19ClN4O — CID 45481989

IUPAC14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
SMILESCN(CCN)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2
InChIInChI=1S/C19H19ClN4O/c1-23(9-8-21)10-11-24-15-7-3-5-13-17(15)18(22-24)12-4-2-6-14(20)16(12)19(13)25/h2-7H,8-11,21H2,1H3
InChIKeyDYCKRAROOWWZRW-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.79
Rot. Bonds5

About 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one

14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one (PubChem CID 45481989) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one.

Molecular Properties

Compound Name14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
PubChem CID45481989
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
SMILESCN(CCN)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2
InChIInChI=1S/C19H19ClN4O/c1-23(9-8-21)10-11-24-15-7-3-5-13-17(15)18(22-24)12-4-2-6-14(20)16(12)19(13)25/h2-7H,8-11,21H2,1H3
InChIKeyDYCKRAROOWWZRW-UHFFFAOYSA-N
XLogP2.79
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The IUPAC name of 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one (CID 45481989) is 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one.
What is the SMILES notation for 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The canonical SMILES for 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one is CN(CCN)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2.
What is the InChIKey of 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The InChIKey is DYCKRAROOWWZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-23(9-8-21)10-11-24-15-7-3-5-13-17(15)18(22-24)12-4-2-6-14(20)16(12)19(13)25/h2-7H,8-11,21H2,1H3.
What are the key properties of 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one has a molecular weight of 354.84 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-[2-aminoethyl(methyl)amino]ethyl]-6-chloro-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one is sourced from PubChem (CID 45481989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).