10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

C19H21N5O — CID 71569531

IUPAC10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
SMILESCN(C)CCn1nc2c3c(c(N(C)C)ccc31)C(=O)c1ccncc1-2
InChIInChI=1S/C19H21N5O/c1-22(2)9-10-24-15-6-5-14(23(3)4)17-16(15)18(21-24)13-11-20-8-7-12(13)19(17)25/h5-8,11H,9-10H2,1-4H3
InChIKeyUQBBDOIDFHJVPR-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.27
Rot. Bonds4

About 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one (PubChem CID 71569531) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one.

Molecular Properties

Compound Name10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
PubChem CID71569531
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
SMILESCN(C)CCn1nc2c3c(c(N(C)C)ccc31)C(=O)c1ccncc1-2
InChIInChI=1S/C19H21N5O/c1-22(2)9-10-24-15-6-5-14(23(3)4)17-16(15)18(21-24)13-11-20-8-7-12(13)19(17)25/h5-8,11H,9-10H2,1-4H3
InChIKeyUQBBDOIDFHJVPR-UHFFFAOYSA-N
XLogP2.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The IUPAC name of 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one (CID 71569531) is 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one.
What is the SMILES notation for 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The canonical SMILES for 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one is CN(C)CCn1nc2c3c(c(N(C)C)ccc31)C(=O)c1ccncc1-2.
What is the InChIKey of 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The InChIKey is UQBBDOIDFHJVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-22(2)9-10-24-15-6-5-14(23(3)4)17-16(15)18(21-24)13-11-20-8-7-12(13)19(17)25/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one has a molecular weight of 335.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dimethylamino)-14-[2-(dimethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one is sourced from PubChem (CID 71569531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).