2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene

C19H10ClNO — CID 14690188

IUPAC2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
SMILESClc1c2ccc3ccccc3c2nc2oc3ccccc3c12
InChIInChI=1S/C19H10ClNO/c20-17-14-10-9-11-5-1-2-6-12(11)18(14)21-19-16(17)13-7-3-4-8-15(13)22-19/h1-10H
InChIKeyRCFOCBYFYPXWLC-UHFFFAOYSA-N
MW303.75 g/mol
LogP5.94
Rot. Bonds

About 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene

2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene (PubChem CID 14690188) has the molecular formula C19H10ClNO and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene.

Molecular Properties

Compound Name2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
PubChem CID14690188
Molecular FormulaC19H10ClNO
Molecular Weight303.75 g/mol
Exact Mass303.05
IUPAC Name2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
SMILESClc1c2ccc3ccccc3c2nc2oc3ccccc3c12
InChIInChI=1S/C19H10ClNO/c20-17-14-10-9-11-5-1-2-6-12(11)18(14)21-19-16(17)13-7-3-4-8-15(13)22-19/h1-10H
InChIKeyRCFOCBYFYPXWLC-UHFFFAOYSA-N
XLogP5.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.75
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?
The IUPAC name of 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene (CID 14690188) is 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene.
What is the SMILES notation for 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?
The canonical SMILES for 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene is Clc1c2ccc3ccccc3c2nc2oc3ccccc3c12.
What is the InChIKey of 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?
The InChIKey is RCFOCBYFYPXWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClNO/c20-17-14-10-9-11-5-1-2-6-12(11)18(14)21-19-16(17)13-7-3-4-8-15(13)22-19/h1-10H.
What are the key properties of 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?
2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene has a molecular weight of 303.75 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 14690188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).