14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one

C19H24N4O2 — CID 163723634

IUPAC14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one
SMILESCN1CCCNC(=O)OCC2C=C(CCC2)c2n[nH]c3ccc1cc23
InChIInChI=1S/C19H24N4O2/c1-23-9-3-8-20-19(24)25-12-13-4-2-5-14(10-13)18-16-11-15(23)6-7-17(16)21-22-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyKTTDTDYYNFNOJE-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.31
Rot. Bonds

About 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one

14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one (PubChem CID 163723634) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one.

Molecular Properties

Compound Name14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one
PubChem CID163723634
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one
SMILESCN1CCCNC(=O)OCC2C=C(CCC2)c2n[nH]c3ccc1cc23
InChIInChI=1S/C19H24N4O2/c1-23-9-3-8-20-19(24)25-12-13-4-2-5-14(10-13)18-16-11-15(23)6-7-17(16)21-22-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyKTTDTDYYNFNOJE-UHFFFAOYSA-N
XLogP3.31
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one with MolForge

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Related Compounds

8,14-dioxa-5,10,19,20,23-pentazatetracyclo[13.5.2.12,5.018,21]tricosa-1(20),2(23),3,15(22),16,18(21)-hexaen-9-one
CID 166835846
5-(2-hydroxypyrrolidin-1-yl)-8,14-dioxa-10,19,20-triazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),3,5,15(22),16,18(21)-heptaen-9-one
CID 166835963
(4S)-3-[3-(1H-indol-2-yl)-1H-indazol-5-yl]-4-methyl-1,3-oxazolidin-2-one
CID 155316605
(13R)-13-methyl-8,14-dioxa-4,10,19,20,23-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),3,5,15(22),16,18(21)-heptaen-9-one
CID 163633490
(3S)-4-[3-(5-cyclohexyl-1H-indazol-3-yl)-1-piperidin-4-yloxyisoquinolin-7-yl]-3-methylmorpholine
CID 178036594
4-(2-morpholin-4-ylethoxy)-8,14-dioxa-10,19,20-triazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18(21)-heptaen-9-one
CID 166835881
(12R)-12-methyl-13-oxa-4,5,9,18,19-pentazatetracyclo[12.5.2.12,5.017,20]docosa-1(19),2(22),3,14(21),15,17(20)-hexaen-8-one
CID 170648529
3-[3-(5-methoxy-1H-indol-2-yl)-1H-indazol-5-yl]-1,3-oxazolidin-2-one
CID 155316600
3-[2-methoxyethyl(methyl)amino]-8,14-dioxa-10,19,20-triazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18(21)-heptaen-9-one
CID 168861699
1-methyl-3-(3-phenyl-1H-indazol-5-yl)-4,5-dihydrobenzimidazol-2-one
CID 167055930
4-(3-quinolin-2-yl-1H-indazol-5-yl)morpholine
CID 167350454
(12R)-12-fluoro-8,14-dioxa-10,19,20-triazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18(21)-heptaen-9-one
CID 166836028

Frequently Asked Questions

What is the IUPAC name of 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one?
The IUPAC name of 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one (CID 163723634) is 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one.
What is the SMILES notation for 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one?
The canonical SMILES for 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one is CN1CCCNC(=O)OCC2C=C(CCC2)c2n[nH]c3ccc1cc23.
What is the InChIKey of 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one?
The InChIKey is KTTDTDYYNFNOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23-9-3-8-20-19(24)25-12-13-4-2-5-14(10-13)18-16-11-15(23)6-7-17(16)21-22-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one?
14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one has a molecular weight of 340.43 g/mol, XLogP of 3.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-8-oxa-10,14,19,20-tetrazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),15(22),16,18(21)-pentaen-9-one is sourced from PubChem (CID 163723634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).