(16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

C18H10ClNO3 — CID 135497423

IUPAC(16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
SMILESC/C(O)=c1/c(=O)nc2ccc(Cl)c3c2=c1c1ccccc1c3=O
InChIInChI=1S/C18H10ClNO3/c1-8(21)13-14-9-4-2-3-5-10(9)17(22)15-11(19)6-7-12(16(14)15)20-18(13)23/h2-7,21H,1H3/b13-8-
InChIKeyNIUJBJKKUPMMKA-JYRVWZFOSA-N
MW323.74 g/mol
LogP2.33
Rot. Bonds

About (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

(16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione (PubChem CID 135497423) has the molecular formula C18H10ClNO3 and a molecular weight of 323.74 g/mol. Its IUPAC name is (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione.

Molecular Properties

Compound Name(16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
PubChem CID135497423
Molecular FormulaC18H10ClNO3
Molecular Weight323.74 g/mol
Exact Mass323.03
IUPAC Name(16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
SMILESC/C(O)=c1/c(=O)nc2ccc(Cl)c3c2=c1c1ccccc1c3=O
InChIInChI=1S/C18H10ClNO3/c1-8(21)13-14-9-4-2-3-5-10(9)17(22)15-11(19)6-7-12(16(14)15)20-18(13)23/h2-7,21H,1H3/b13-8-
InChIKeyNIUJBJKKUPMMKA-JYRVWZFOSA-N
XLogP2.33
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The IUPAC name of (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione (CID 135497423) is (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione.
What is the SMILES notation for (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The canonical SMILES for (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione is C/C(O)=c1/c(=O)nc2ccc(Cl)c3c2=c1c1ccccc1c3=O.
What is the InChIKey of (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The InChIKey is NIUJBJKKUPMMKA-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H10ClNO3/c1-8(21)13-14-9-4-2-3-5-10(9)17(22)15-11(19)6-7-12(16(14)15)20-18(13)23/h2-7,21H,1H3/b13-8-.
What are the key properties of (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
(16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione has a molecular weight of 323.74 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (16Z)-10-chloro-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione is sourced from PubChem (CID 135497423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).