13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione

C19H13NO4 — CID 123400616

IUPAC13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione
SMILESCCCc1cc2c(=O)oc3c4ccccc4c4oc(=O)c(c1)c2n34
InChIInChI=1S/C19H13NO4/c1-2-5-10-8-13-15-14(9-10)19(22)24-17-12-7-4-3-6-11(12)16(20(15)17)23-18(13)21/h3-4,6-9H,2,5H2,1H3
InChIKeyRLQRWMDRAAAVCQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.70
Rot. Bonds2

About 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione

13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione (PubChem CID 123400616) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione.

Molecular Properties

Compound Name13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione
PubChem CID123400616
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione
SMILESCCCc1cc2c(=O)oc3c4ccccc4c4oc(=O)c(c1)c2n34
InChIInChI=1S/C19H13NO4/c1-2-5-10-8-13-15-14(9-10)19(22)24-17-12-7-4-3-6-11(12)16(20(15)17)23-18(13)21/h3-4,6-9H,2,5H2,1H3
InChIKeyRLQRWMDRAAAVCQ-UHFFFAOYSA-N
XLogP3.70
TPSA64.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-9-propylbenzo[c]chromen-6-one
CID 16754719
2-propyl-3,1-benzoxazin-4-one
CID 823661
9-butylbenzo[c]chromen-6-one
CID 102375140
3,4,5,6-tetrafluoro-13-propyl-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2(7),3,5,8,11(19),12,14-octaene-10,16-dione
CID 118330618
3-phenyl-4-propylisochromen-1-one
CID 177394778
1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one
CID 90154793
9-butyl-7-trimethylsilylbenzo[c]chromen-6-one
CID 102575642
benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
5,12-bis(2,4,6-tripropylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 167209555
3-butyl-5-methylpyrano[4,3-b]indol-1-one
CID 127032077
2,6-dipropylchromen-4-one
CID 58402381
2-methyl-11-propyltriphenylene
CID 163874505

Frequently Asked Questions

What is the IUPAC name of 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione?
The IUPAC name of 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione (CID 123400616) is 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione.
What is the SMILES notation for 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione?
The canonical SMILES for 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione is CCCc1cc2c(=O)oc3c4ccccc4c4oc(=O)c(c1)c2n34.
What is the InChIKey of 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione?
The InChIKey is RLQRWMDRAAAVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-2-5-10-8-13-15-14(9-10)19(22)24-17-12-7-4-3-6-11(12)16(20(15)17)23-18(13)21/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione?
13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione has a molecular weight of 319.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-propyl-9,17-dioxa-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1,3,5,7,11(19),12,14-heptaene-10,16-dione is sourced from PubChem (CID 123400616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).