16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one

C16H18N6O — CID 164948010

IUPAC16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one
SMILESCNc1cc2nc3c(cnn13)C(=O)CCCCn1ccc(c1)N2
InChIInChI=1S/C16H18N6O/c1-17-15-8-14-19-11-5-7-21(10-11)6-3-2-4-13(23)12-9-18-22(15)16(12)20-14/h5,7-10,17H,2-4,6H2,1H3,(H,19,20)
InChIKeyLHUYTCBGGWJAMD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.68
Rot. Bonds1

About 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one

16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one (PubChem CID 164948010) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one.

Molecular Properties

Compound Name16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one
PubChem CID164948010
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one
SMILESCNc1cc2nc3c(cnn13)C(=O)CCCCn1ccc(c1)N2
InChIInChI=1S/C16H18N6O/c1-17-15-8-14-19-11-5-7-21(10-11)6-3-2-4-13(23)12-9-18-22(15)16(12)20-14/h5,7-10,17H,2-4,6H2,1H3,(H,19,20)
InChIKeyLHUYTCBGGWJAMD-UHFFFAOYSA-N
XLogP2.68
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one with MolForge

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Related Compounds

17-(methylamino)-5-methylidene-2,6,15,16,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,7(21),13(20),14,17-hexaen-12-one
CID 164966834
5-methyl-17-(methylamino)-8-oxa-2,15,16,19,21-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3(21),4,6,13(20),14,17-heptaen-12-one
CID 165020312
17-(methylamino)-2,11,15,16,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one
CID 155153565
16-(methylamino)-2,10,14,15,18-pentazatetracyclo[10.5.2.13,7.015,19]icosa-1(18),3,5,7(20),12(19),13,16-heptaen-11-one
CID 155153566
17-(methylamino)-4-(trifluoromethyl)-8-oxa-2,15,16,19,21-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one
CID 164987790
17-(methylamino)-2,11,15,16,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaene-8,12-dione
CID 155153540
5-methyl-17-(methylamino)-2,11,15,16,19,21-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one
CID 164782537
17-(methylamino)-2,7,11,15,16,19-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),13(20),14,17-tetraene-6,12-dione
CID 155153444
4-amino-5,22-bis(methylamino)-2,9,16,20,21,24-hexazapentacyclo[16.5.2.13,7.09,14.021,25]hexacosa-1(24),3,5,7(26),18(25),19,22-heptaen-17-one
CID 169191119
6-fluoro-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.03,8.017,21]henicosa-1(20),3(8),4,6,14(21),15,18-heptaen-13-one
CID 155153459
4-chloro-21-fluoro-17-(methylamino)-8-oxa-2,11,15,16,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-12-one
CID 164782541
(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one
CID 165027139

Frequently Asked Questions

What is the IUPAC name of 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one?
The IUPAC name of 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one (CID 164948010) is 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one.
What is the SMILES notation for 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one?
The canonical SMILES for 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one is CNc1cc2nc3c(cnn13)C(=O)CCCCn1ccc(c1)N2.
What is the InChIKey of 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one?
The InChIKey is LHUYTCBGGWJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-17-15-8-14-19-11-5-7-21(10-11)6-3-2-4-13(23)12-9-18-22(15)16(12)20-14/h5,7-10,17H,2-4,6H2,1H3,(H,19,20).
What are the key properties of 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one?
16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one has a molecular weight of 310.36 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(methylamino)-2,6,14,15,18-pentazatetracyclo[10.5.2.13,6.015,19]icosa-1(18),3(20),4,12(19),13,16-hexaen-11-one is sourced from PubChem (CID 164948010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).